CID 365677

Nsc633530

Structural Information

Molecular Formula
C26H32N4O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C26H32N4O/c1-27-24-12-6-5-11-22(24)23-13-16-30(26(31)25(23)27)15-8-7-14-28-17-19-29(20-18-28)21-9-3-2-4-10-21/h2-6,9-12H,7-8,13-20H2,1H3
InChIKey
VCJFHCNTZJFPPV-UHFFFAOYSA-N
Compound name
9-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

416.2576 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.26488 207.5
[M+Na]+ 439.24682 222.7
[M+NH4]+ 434.29142 215.1
[M+K]+ 455.22076 214.2
[M-H]- 415.25032 212.9
[M+Na-2H]- 437.23227 213.5
[M]+ 416.25705 211.3
[M]- 416.25815 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.