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 207.9
[M+Na]+ 439.24682 213.3
[M-H]- 415.25032 212.4
[M+NH4]+ 434.29142 215.6
[M+K]+ 455.22076 204.4
[M+H-H2O]+ 399.25486 194.0
[M+HCOO]- 461.25580 218.2
[M+CH3COO]- 475.27145 213.9
[M+Na-2H]- 437.23227 206.0
[M]+ 416.25705 204.8
[M]- 416.25815 204.8
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.