CID 42758

6-chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
CC1=NC=C(C=C1)CCN2C3=C(CCC(C3)C(=O)O)C4=C2C=CC(=C4)Cl
InChI
InChI=1S/C21H21ClN2O2/c1-13-2-3-14(12-23-13)8-9-24-19-7-5-16(22)11-18(19)17-6-4-15(21(25)26)10-20(17)24/h2-3,5,7,11-12,15H,4,6,8-10H2,1H3,(H,25,26)
InChIKey
STCMISVFEALRMM-UHFFFAOYSA-N
Compound name
6-chloro-9-[2-(6-methylpyridin-3-yl)ethyl]-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12915 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 186.9
[M+Na]+ 391.11837 202.9
[M+NH4]+ 386.16297 195.4
[M+K]+ 407.09231 195.6
[M-H]- 367.12187 190.9
[M+Na-2H]- 389.10382 192.8
[M]+ 368.12860 190.7
[M]- 368.12970 190.7
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

No patent data available for this compound.