CID 71300220

1354547-26-4

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
CN1CCC2=C(C1)C3=C(N2CC4=CC=C(C=C4)C(=O)OC)C=CC(=C3)Cl
InChI
InChI=1S/C21H21ClN2O2/c1-23-10-9-20-18(13-23)17-11-16(22)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)26-2/h3-8,11H,9-10,12-13H2,1-2H3
InChIKey
FKPJUKZMKMASRY-UHFFFAOYSA-N
Compound name
methyl 4-[(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12915 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 186.6
[M+Na]+ 391.11837 203.1
[M+NH4]+ 386.16297 195.4
[M+K]+ 407.09231 195.5
[M-H]- 367.12187 191.0
[M+Na-2H]- 389.10382 193.0
[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.