CID 3075512

184691-50-7

Structural Information

Molecular Formula
C24H28N6O2
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(C(=O)C3)CCCCN4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C24H28N6O2/c1-27-20-8-3-2-7-18(20)19-17-21(31)30(23(32)22(19)27)12-5-4-11-28-13-15-29(16-14-28)24-25-9-6-10-26-24/h2-3,6-10H,4-5,11-17H2,1H3
InChIKey
KJWDCTPGSSTDHV-UHFFFAOYSA-N
Compound name
9-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4H-pyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2274 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.23468 209.6
[M+Na]+ 455.21662 224.4
[M+NH4]+ 450.26122 214.8
[M+K]+ 471.19056 217.8
[M-H]- 431.22012 212.8
[M+Na-2H]- 453.20207 214.4
[M]+ 432.22685 212.5
[M]- 432.22795 212.5
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.