(1r,2s,4s,6r,7r,8s)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one (C19H24N2O3)

Structural Information

Molecular Formula

SMILES

CC[C@@H]1[C@@H]2C[C@@H]3[C@]4(C[C@@H]([C@H]2CO3)N1)C5=CC=CC=C5N(C4=O)OC

InChI

InChI=1S/C19H24N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,14-15,17,20H,3,8-10H2,1-2H3/t11-,12+,14-,15+,17-,19+/m1/s1

InChIKey

LDBVYQSHIPCQPT-CTSQFDBHSA-N

Compound name

(1R,2S,4S,6R,7R,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.185956	180.8
[M+Na]+	351.167898	190.6
[M-H]-	327.171404	185.1
[M+NH4]+	346.212503	199.3
[M+K]+	367.141838	182.7
[M+H-H2O]+	311.175940	177.5
[M+HCOO]-	373.176881	187.5
[M+CH3COO]-	387.192531	188.9
[M+Na-2H]-	349.153346	183.6
[M]+	328.17813142	180.5
[M]-	328.17922858	180.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

329.185956

180.8

[M+Na]+

351.167898

190.6

[M-H]-

327.171404

185.1

[M+NH4]+

346.212503

199.3

[M+K]+

367.141838

182.7

[M+H-H2O]+

311.175940

177.5

[M+HCOO]-

373.176881

187.5

[M+CH3COO]-

387.192531

188.9

[M+Na-2H]-

349.153346

183.6

[M]+

328.17813142

180.5

[M]-

328.17922858

180.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(1r,2s,4s,6r,7r,8s)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe