Strychnidin-10-one, 16-methoxy- (C22H24N2O3)

Structural Information

Molecular Formula

SMILES

CO[C@]12C[C@@H]3[C@H]4[C@@H]5CC(=O)N6[C@@H]4C1(CCN2CC3=CCO5)C7=CC=CC=C76

InChI

InChI=1S/C22H24N2O3/c1-26-22-11-14-13-6-9-27-17-10-18(25)24-16-5-3-2-4-15(16)21(22,20(24)19(14)17)7-8-23(22)12-13/h2-6,14,17,19-20H,7-12H2,1H3/t14-,17-,19-,20-,21?,22+/m0/s1

InChIKey

BMDMNLBIKSAWCI-YSSRSQPBSA-N

Compound name

(4aR,5aR,13aS,15aS,15bR)-5a-methoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-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]+	365.185956	182.5
[M+Na]+	387.167898	189.3
[M-H]-	363.171404	186.4
[M+NH4]+	382.212503	203.3
[M+K]+	403.141838	182.7
[M+H-H2O]+	347.175940	173.0
[M+HCOO]-	409.176881	186.9
[M+CH3COO]-	423.192531	190.3
[M+Na-2H]-	385.153346	184.7
[M]+	364.17813142	181.1
[M]-	364.17922858	181.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

365.185956

182.5

[M+Na]+

387.167898

189.3

[M-H]-

363.171404

186.4

[M+NH4]+

382.212503

203.3

[M+K]+

403.141838

182.7

[M+H-H2O]+

347.175940

173.0

[M+HCOO]-

409.176881

186.9

[M+CH3COO]-

423.192531

190.3

[M+Na-2H]-

385.153346

184.7

[M]+

364.17813142

181.1

[M]-

364.17922858

181.1

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

Strychnidin-10-one, 16-methoxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe