CID 3073719

Pyrrolo(3,4-c)pyrrole-1,3(2h,5h)-dione, 5-butyl-4,6-dimethyl-2-(2-(4-phenyl-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C24H32N4O2
SMILES
CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CCN3CCN(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C24H32N4O2/c1-4-5-11-27-18(2)21-22(19(27)3)24(30)28(23(21)29)17-14-25-12-15-26(16-13-25)20-9-7-6-8-10-20/h6-10H,4-5,11-17H2,1-3H3
InChIKey
JIFSNRWMBJLXDC-UHFFFAOYSA-N
Compound name
2-butyl-1,3-dimethyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolo[3,4-c]pyrrole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.25253 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.25981 206.1
[M+Na]+ 431.24175 213.0
[M-H]- 407.24525 211.3
[M+NH4]+ 426.28635 216.1
[M+K]+ 447.21569 206.1
[M+H-H2O]+ 391.24979 195.2
[M+HCOO]- 453.25073 219.1
[M+CH3COO]- 467.26638 228.1
[M+Na-2H]- 429.22720 198.7
[M]+ 408.25198 206.7
[M]- 408.25308 206.7
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.