PubChemLite - Sb236057 (C33H34N4O3)

Structural Information

Molecular Formula

SMILES

CCN1CCC2(CC1)COC3=C2C=C4C(=C3)CCN4C(=O)C5=CC=C(C=C5)C6=C(C=C(C=C6)C7=NN=C(O7)C)C

InChI

InChI=1S/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3

InChIKey

WXAKEEQOWUHGCI-UHFFFAOYSA-N

Compound name

(1'-ethylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone

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]+	535.27034	230.5
[M+Na]+	557.25228	237.0
[M-H]-	533.25578	243.6
[M+NH4]+	552.29688	236.5
[M+K]+	573.22622	231.7
[M+H-H2O]+	517.26032	219.0
[M+HCOO]-	579.26126	239.0
[M+CH3COO]-	593.27691	236.7
[M+Na-2H]-	555.23773	220.7
[M]+	534.26251	230.5
[M]-	534.26361	230.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.27034

230.5

[M+Na]+

557.25228

237.0

[M-H]-

533.25578

243.6

[M+NH4]+

552.29688

236.5

[M+K]+

573.22622

231.7

[M+H-H2O]+

517.26032

219.0

[M+HCOO]-

579.26126

239.0

[M+CH3COO]-

593.27691

236.7

[M+Na-2H]-

555.23773

220.7

[M]+

534.26251

230.5

[M]-

534.26361

230.5

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

Sb236057

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe