CID 3075518

1h-pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-9-methyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-

Structural Information

Molecular Formula
C25H32N4
SMILES
CN1C2=C(CCN(C2)CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C51
InChI
InChI=1S/C25H32N4/c1-26-24-11-6-5-10-22(24)23-12-15-28(20-25(23)26)14-7-13-27-16-18-29(19-17-27)21-8-3-2-4-9-21/h2-6,8-11H,7,12-20H2,1H3
InChIKey
PFJVUXKZLCKQCG-UHFFFAOYSA-N
Compound name
9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.2627 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.26998 200.2
[M+Na]+ 411.25192 205.1
[M-H]- 387.25542 204.4
[M+NH4]+ 406.29652 209.0
[M+K]+ 427.22586 196.3
[M+H-H2O]+ 371.25996 186.3
[M+HCOO]- 433.26090 210.7
[M+CH3COO]- 447.27655 206.5
[M+Na-2H]- 409.23737 199.5
[M]+ 388.26215 195.7
[M]- 388.26325 195.7
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.