CID 3075505

1h-pyrido(3,4-b)indole-1,3(2h)-dione, 4,9-dihydro-9-methyl-2-(2-(4-phenyl-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C24H26N4O2
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(C(=O)C3)CCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H26N4O2/c1-25-21-10-6-5-9-19(21)20-17-22(29)28(24(30)23(20)25)16-13-26-11-14-27(15-12-26)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
InChIKey
UVRMNFFBWQPTLL-UHFFFAOYSA-N
Compound name
9-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-pyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.20557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21285 202.5
[M+Na]+ 425.19479 209.8
[M-H]- 401.19829 207.8
[M+NH4]+ 420.23939 210.9
[M+K]+ 441.16873 201.5
[M+H-H2O]+ 385.20283 189.3
[M+HCOO]- 447.20377 213.8
[M+CH3COO]- 461.21942 209.6
[M+Na-2H]- 423.18024 201.1
[M]+ 402.20502 200.0
[M]- 402.20612 200.0
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.