CID 3073720

151722-71-3

Structural Information

Molecular Formula
C23H31N5O2
SMILES
CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CCN3CCN(CC3)C4=CC=CC=N4)C
InChI
InChI=1S/C23H31N5O2/c1-4-5-10-27-17(2)20-21(18(27)3)23(30)28(22(20)29)16-13-25-11-14-26(15-12-25)19-8-6-7-9-24-19/h6-9H,4-5,10-16H2,1-3H3
InChIKey
UWROCNCFBIYNMI-UHFFFAOYSA-N
Compound name
2-butyl-1,3-dimethyl-5-[2-(4-pyridin-2-ylpiperazin-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

409.24777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.255046 206.5
[M+Na]+ 432.236988 213.8
[M-H]- 408.240494 210.6
[M+NH4]+ 427.281593 215.1
[M+K]+ 448.210928 206.9
[M+H-H2O]+ 392.245030 194.9
[M+HCOO]- 454.245971 218.4
[M+CH3COO]- 468.261621 213.7
[M+Na-2H]- 430.222436 199.4
[M]+ 409.24722142 207.2
[M]- 409.24831858 207.2
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.