CID 3073209

147297-18-5

Structural Information

Molecular Formula
C23H28N4O3
SMILES
CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N4O3/c1-17-16-19-20(22(29)24(17)2)23(30)27(21(19)28)11-7-6-10-25-12-14-26(15-13-25)18-8-4-3-5-9-18/h3-5,8-9,16H,6-7,10-15H2,1-2H3
InChIKey
ZZHOCLQXHQAAMY-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-[4-(4-phenylpiperazin-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

408.21616 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.22344 202.9
[M+Na]+ 431.20538 216.4
[M+NH4]+ 426.24998 207.9
[M+K]+ 447.17932 210.6
[M-H]- 407.20888 205.9
[M+Na-2H]- 429.19083 206.9
[M]+ 408.21561 205.4
[M]- 408.21671 205.4
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.

Patent stripe

No patent data available for this compound.