PubChemLite - Phenserine (C20H23N3O2)

Structural Information

Molecular Formula

SMILES

C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C

InChI

InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1

InChIKey

PBHFNBQPZCRWQP-QUCCMNQESA-N

Compound name

[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate

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]+	338.18630	181.2
[M+Na]+	360.16824	189.3
[M-H]-	336.17174	187.7
[M+NH4]+	355.21284	199.7
[M+K]+	376.14218	184.4
[M+H-H2O]+	320.17628	173.0
[M+HCOO]-	382.17722	199.8
[M+CH3COO]-	396.19287	191.9
[M+Na-2H]-	358.15369	182.1
[M]+	337.17847	182.3
[M]-	337.17957	182.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

338.18630

181.2

[M+Na]+

360.16824

189.3

[M-H]-

336.17174

187.7

[M+NH4]+

355.21284

199.7

[M+K]+

376.14218

184.4

[M+H-H2O]+

320.17628

173.0

[M+HCOO]-

382.17722

199.8

[M+CH3COO]-

396.19287

191.9

[M+Na-2H]-

358.15369

182.1

[M]+

337.17847

182.3

[M]-

337.17957

182.3

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

Phenserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe