CID 514271

494799-85-8

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=CC=N3)C4CCCC4
InChI
InChI=1S/C20H20N2O2/c1-22-17-12-14(20(23)24)9-10-15(17)18(13-6-2-3-7-13)19(22)16-8-4-5-11-21-16/h4-5,8-13H,2-3,6-7H2,1H3,(H,23,24)
InChIKey
GYCVMJQCOXVUNV-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

320.15247 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 175.8
[M+Na]+ 343.14169 184.1
[M-H]- 319.14519 183.5
[M+NH4]+ 338.18629 191.2
[M+K]+ 359.11563 178.2
[M+H-H2O]+ 303.14973 167.2
[M+HCOO]- 365.15067 194.8
[M+CH3COO]- 379.16632 186.8
[M+Na-2H]- 341.12714 174.7
[M]+ 320.15192 175.7
[M]- 320.15302 175.7
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

patents stripe