CID 365678

184691-56-3

Structural Information

Molecular Formula
C26H31ClN4O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C26H31ClN4O/c1-28-24-10-3-2-9-22(24)23-11-14-31(26(32)25(23)28)13-5-4-12-29-15-17-30(18-16-29)21-8-6-7-20(27)19-21/h2-3,6-10,19H,4-5,11-18H2,1H3
InChIKey
ZXDMGMNETBRKMC-UHFFFAOYSA-N
Compound name
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-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

450.21863 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.22591 215.7
[M+Na]+ 473.20785 222.6
[M-H]- 449.21135 220.1
[M+NH4]+ 468.25245 223.2
[M+K]+ 489.18179 212.8
[M+H-H2O]+ 433.21589 201.9
[M+HCOO]- 495.21683 221.3
[M+CH3COO]- 509.23248 221.5
[M+Na-2H]- 471.19330 212.5
[M]+ 450.21808 215.3
[M]- 450.21918 215.3
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

No patent data available for this compound.