CID 11687835

Chembl207299

Structural Information

Molecular Formula
C16H15FN2O2
SMILES
CCCC1(CCC2=C1NC3=C(C=CC(=C23)C#N)F)C(=O)O
InChI
InChI=1S/C16H15FN2O2/c1-2-6-16(15(20)21)7-5-10-12-9(8-18)3-4-11(17)13(12)19-14(10)16/h3-4,19H,2,5-7H2,1H3,(H,20,21)
InChIKey
CYFCIXPSJVHSMX-UHFFFAOYSA-N
Compound name
8-cyano-5-fluoro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

286.11176 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11904 168.3
[M+Na]+ 309.10098 181.4
[M-H]- 285.10448 168.8
[M+NH4]+ 304.14558 187.3
[M+K]+ 325.07492 171.9
[M+H-H2O]+ 269.10902 155.8
[M+HCOO]- 331.10996 182.8
[M+CH3COO]- 345.12561 178.3
[M+Na-2H]- 307.08643 169.1
[M]+ 286.11121 163.7
[M]- 286.11231 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe