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 188.2
[M+Na]+ 391.11837 197.8
[M-H]- 367.12187 192.8
[M+NH4]+ 386.16297 202.1
[M+K]+ 407.09231 189.8
[M+H-H2O]+ 351.12641 179.4
[M+HCOO]- 413.12735 199.6
[M+CH3COO]- 427.14300 197.9
[M+Na-2H]- 389.10382 188.7
[M]+ 368.12860 191.3
[M]- 368.12970 191.3
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

patents stripe