CID 514287

1h-indole-6-carboxylic acid,2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-

Structural Information

Molecular Formula
C20H19ClN2O2
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=C(C=C3)Cl)C4CCCC4
InChI
InChI=1S/C20H19ClN2O2/c1-23-17-10-13(20(24)25)6-8-15(17)18(12-4-2-3-5-12)19(23)16-9-7-14(21)11-22-16/h6-12H,2-5H2,1H3,(H,24,25)
InChIKey
OFZNLBUWNMYWDH-UHFFFAOYSA-N
Compound name
2-(5-chloropyridin-2-yl)-3-cyclopentyl-1-methylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1135 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12078 184.2
[M+Na]+ 377.10272 194.1
[M-H]- 353.10622 192.0
[M+NH4]+ 372.14732 199.3
[M+K]+ 393.07666 186.8
[M+H-H2O]+ 337.11076 176.0
[M+HCOO]- 399.11170 198.5
[M+CH3COO]- 413.12735 195.0
[M+Na-2H]- 375.08817 181.8
[M]+ 354.11295 186.7
[M]- 354.11405 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.