CID 514264

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

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC1=CN=C(C=C1)C2=C(C3=C(N2C)C=C(C=C3)C(=O)O)C4CCCCC4
InChI
InChI=1S/C22H24N2O2/c1-14-8-11-18(23-13-14)21-20(15-6-4-3-5-7-15)17-10-9-16(22(25)26)12-19(17)24(21)2/h8-13,15H,3-7H2,1-2H3,(H,25,26)
InChIKey
MUHCZMARPFFRKA-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-methyl-2-(5-methylpyridin-2-yl)indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 185.3
[M+Na]+ 371.17300 192.7
[M-H]- 347.17650 192.2
[M+NH4]+ 366.21760 197.7
[M+K]+ 387.14694 186.2
[M+H-H2O]+ 331.18104 175.4
[M+HCOO]- 393.18198 201.2
[M+CH3COO]- 407.19763 194.8
[M+Na-2H]- 369.15845 184.3
[M]+ 348.18323 183.8
[M]- 348.18433 183.8
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.