CID 365672

184691-52-9

Structural Information

Molecular Formula
C24H27ClN4O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCN4CCN(CC4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C24H27ClN4O/c1-26-22-8-3-2-7-20(22)21-9-10-29(24(30)23(21)26)16-13-27-11-14-28(15-12-27)19-6-4-5-18(25)17-19/h2-8,17H,9-16H2,1H3
InChIKey
MEBBQRYKQJOYQS-UHFFFAOYSA-N
Compound name
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-9-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18735 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19463 207.2
[M+Na]+ 445.17657 215.1
[M-H]- 421.18007 212.0
[M+NH4]+ 440.22117 215.9
[M+K]+ 461.15051 205.7
[M+H-H2O]+ 405.18461 193.8
[M+HCOO]- 467.18555 213.5
[M+CH3COO]- 481.20120 213.9
[M+Na-2H]- 443.16202 205.0
[M]+ 422.18680 206.2
[M]- 422.18790 206.2
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.