CID 3075507

1h-pyrido(3,4-b)indole-1,3(2h)-dione, 4,9-dihydro-2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)-

Structural Information

Molecular Formula
C22H24N6O2
SMILES
C1CN(CCN1CCCN2C(=O)CC3=C(C2=O)NC4=CC=CC=C34)C5=NC=CC=N5
InChI
InChI=1S/C22H24N6O2/c29-19-15-17-16-5-1-2-6-18(16)25-20(17)21(30)28(19)10-4-9-26-11-13-27(14-12-26)22-23-7-3-8-24-22/h1-3,5-8,25H,4,9-15H2
InChIKey
GTGDTJMORUCVMG-UHFFFAOYSA-N
Compound name
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.19608 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20336 201.9
[M+Na]+ 427.18530 208.8
[M-H]- 403.18880 203.4
[M+NH4]+ 422.22990 206.5
[M+K]+ 443.15924 199.6
[M+H-H2O]+ 387.19334 187.9
[M+HCOO]- 449.19428 209.8
[M+CH3COO]- 463.20993 207.4
[M+Na-2H]- 425.17075 201.9
[M]+ 404.19553 197.8
[M]- 404.19663 197.8
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.