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 200.6
[M+Na]+ 427.18530 215.0
[M+NH4]+ 422.22990 205.9
[M+K]+ 443.15924 209.0
[M-H]- 403.18880 203.3
[M+Na-2H]- 425.17075 205.6
[M]+ 404.19553 203.2
[M]- 404.19663 203.2
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.

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No patent data available for this compound.