PubChemLite - 92472-70-3 (C23H36N2O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C

InChI

InChI=1S/C23H36N2O2/c1-5-25(6-2)21(27)18-9-8-16-15-7-10-19-23(4,14-12-20(26)24-19)17(15)11-13-22(16,18)3/h12,14-19H,5-11,13H2,1-4H3,(H,24,26)/t15-,16-,17-,18+,19+,22-,23+/m0/s1

InChIKey

JJUQMZALXVFLHF-NUSLZGIJSA-N

Compound name

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N,N-diethyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-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]+	373.28496	195.2
[M+Na]+	395.26690	201.9
[M+NH4]+	390.31150	205.7
[M+K]+	411.24084	193.4
[M-H]-	371.27040	196.7
[M+Na-2H]-	393.25235	195.9
[M]+	372.27713	196.5
[M]-	372.27823	196.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.28496

195.2

[M+Na]+

395.26690

201.9

[M+NH4]+

390.31150

205.7

[M+K]+

411.24084

193.4

[M-H]-

371.27040

196.7

[M+Na-2H]-

393.25235

195.9

[M]+

372.27713

196.5

[M]-

372.27823

196.5

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

92472-70-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe