PubChemLite - Fce 28260 (C28H35F3N2O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C4=CC=CC=C4)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C

InChI

InChI=1S/C28H35F3N2O2/c1-25-15-13-20-18(9-12-22-26(20,2)16-14-23(34)32-22)19(25)10-11-21(25)24(35)33-27(3,28(29,30)31)17-7-5-4-6-8-17/h4-8,14,16,18-22H,9-13,15H2,1-3H3,(H,32,34)(H,33,35)/t18-,19-,20-,21+,22+,25-,26+,27?/m0/s1

InChIKey

FAIZUAWLKOHMOP-ZOIXLQFFSA-N

Compound name

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)-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]+	489.27236	220.9
[M+Na]+	511.25430	223.8
[M-H]-	487.25780	220.8
[M+NH4]+	506.29890	233.8
[M+K]+	527.22824	216.3
[M+H-H2O]+	471.26234	209.9
[M+HCOO]-	533.26328	221.3
[M+CH3COO]-	547.27893	239.3
[M+Na-2H]-	509.23975	219.8
[M]+	488.26453	208.6
[M]-	488.26563	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.27236

220.9

[M+Na]+

511.25430

223.8

[M-H]-

487.25780

220.8

[M+NH4]+

506.29890

233.8

[M+K]+

527.22824

216.3

[M+H-H2O]+

471.26234

209.9

[M+HCOO]-

533.26328

221.3

[M+CH3COO]-

547.27893

239.3

[M+Na-2H]-

509.23975

219.8

[M]+

488.26453

208.6

[M]-

488.26563

208.6

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

Fce 28260

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe