CID 3075511

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

Structural Information

Molecular Formula
C23H26N6O2
SMILES
C1CN(CCN1CCCCN2C(=O)CC3=C(C2=O)NC4=CC=CC=C34)C5=NC=CC=N5
InChI
InChI=1S/C23H26N6O2/c30-20-16-18-17-6-1-2-7-19(17)26-21(18)22(31)29(20)11-4-3-10-27-12-14-28(15-13-27)23-24-8-5-9-25-23/h1-2,5-9,26H,3-4,10-16H2
InChIKey
GBUXMQFITLDNOE-UHFFFAOYSA-N
Compound name
2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.21173 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.21901 204.9
[M+Na]+ 441.20095 219.1
[M+NH4]+ 436.24555 210.0
[M+K]+ 457.17489 212.8
[M-H]- 417.20445 207.5
[M+Na-2H]- 439.18640 209.6
[M]+ 418.21118 207.4
[M]- 418.21228 207.4
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.