CID 514290

3-cyclopentyl-2-(5-methoxy-2-pyridyl)-1-methyl-indole-6-carboxylic acid

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=C(C=C3)OC)C4CCCC4
InChI
InChI=1S/C21H22N2O3/c1-23-18-11-14(21(24)25)7-9-16(18)19(13-5-3-4-6-13)20(23)17-10-8-15(26-2)12-22-17/h7-13H,3-6H2,1-2H3,(H,24,25)
InChIKey
PIFXBRSUKDSMMS-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 183.3
[M+Na]+ 373.15228 191.7
[M-H]- 349.15578 191.3
[M+NH4]+ 368.19688 197.6
[M+K]+ 389.12622 186.4
[M+H-H2O]+ 333.16032 174.7
[M+HCOO]- 395.16126 202.1
[M+CH3COO]- 409.17691 194.0
[M+Na-2H]- 371.13773 181.2
[M]+ 350.16251 185.3
[M]- 350.16361 185.3
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.