CID 514288

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

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1CCC(C1)C2=C(NC3=C2C=CC(=C3)C(=O)O)C4=CC=CC=N4
InChI
InChI=1S/C19H18N2O2/c22-19(23)13-8-9-14-16(11-13)21-18(15-7-3-4-10-20-15)17(14)12-5-1-2-6-12/h3-4,7-12,21H,1-2,5-6H2,(H,22,23)
InChIKey
CAWUCBVVGOXPDR-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 170.8
[M+Na]+ 329.12606 178.2
[M-H]- 305.12956 177.0
[M+NH4]+ 324.17066 185.8
[M+K]+ 345.10000 171.8
[M+H-H2O]+ 289.13410 162.5
[M+HCOO]- 351.13504 188.8
[M+CH3COO]- 365.15069 181.3
[M+Na-2H]- 327.11151 170.7
[M]+ 306.13629 168.2
[M]- 306.13739 168.2
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.