CID 514269

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

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC(=CC=C3)N)C4CCCC4
InChI
InChI=1S/C20H21N3O2/c1-23-16-11-13(20(24)25)9-10-14(16)18(12-5-2-3-6-12)19(23)15-7-4-8-17(21)22-15/h4,7-12H,2-3,5-6H2,1H3,(H2,21,22)(H,24,25)
InChIKey
LSEUHWVGRQAOFS-UHFFFAOYSA-N
Compound name
2-(6-aminopyridin-2-yl)-3-cyclopentyl-1-methylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 179.2
[M+Na]+ 358.15262 187.5
[M-H]- 334.15612 186.9
[M+NH4]+ 353.19722 193.7
[M+K]+ 374.12656 181.4
[M+H-H2O]+ 318.16066 170.8
[M+HCOO]- 380.16160 198.7
[M+CH3COO]- 394.17725 189.8
[M+Na-2H]- 356.13807 177.5
[M]+ 335.16285 178.1
[M]- 335.16395 178.1
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.