CID 3073575

150064-13-4

Structural Information

Molecular Formula
C21H26N6O3
SMILES
CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4
InChI
InChI=1S/C21H26N6O3/c1-15-14-16-17(19(29)24(15)2)20(30)27(18(16)28)9-4-3-8-25-10-12-26(13-11-25)21-22-6-5-7-23-21/h5-7,14H,3-4,8-13H2,1-2H3
InChIKey
OHFWURJZYSWHJY-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.20663 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21391 202.9
[M+Na]+ 433.19585 216.3
[M+NH4]+ 428.24045 206.5
[M+K]+ 449.16979 211.5
[M-H]- 409.19935 204.3
[M+Na-2H]- 431.18130 206.4
[M]+ 410.20608 204.8
[M]- 410.20718 204.8
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.