PubChemLite - 1cp-lsd (C24H29N3O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C(=O)C5CC5)C

InChI

InChI=1S/C24H29N3O2/c1-4-26(5-2)23(28)17-11-19-18-7-6-8-20-22(18)16(12-21(19)25(3)13-17)14-27(20)24(29)15-9-10-15/h6-8,11,14-15,17,21H,4-5,9-10,12-13H2,1-3H3/t17-,21-/m1/s1

InChIKey

RAFUPYYDHPFASC-DYESRHJHSA-N

Compound name

(6aR,9R)-4-(cyclopropanecarbonyl)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

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]+	392.23326	200.2
[M+Na]+	414.21520	207.8
[M-H]-	390.21870	206.7
[M+NH4]+	409.25980	209.4
[M+K]+	430.18914	201.1
[M+H-H2O]+	374.22324	191.2
[M+HCOO]-	436.22418	214.1
[M+CH3COO]-	450.23983	208.2
[M+Na-2H]-	412.20065	198.8
[M]+	391.22543	205.1
[M]-	391.22653	205.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.23326

200.2

[M+Na]+

414.21520

207.8

[M-H]-

390.21870

206.7

[M+NH4]+

409.25980

209.4

[M+K]+

430.18914

201.1

[M+H-H2O]+

374.22324

191.2

[M+HCOO]-

436.22418

214.1

[M+CH3COO]-

450.23983

208.2

[M+Na-2H]-

412.20065

198.8

[M]+

391.22543

205.1

[M]-

391.22653

205.1

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

1cp-lsd

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe