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]+ 410.25505 206.5
[M+Na]+ 432.23699 213.8
[M-H]- 408.24049 210.6
[M+NH4]+ 427.28159 215.1
[M+K]+ 448.21093 206.9
[M+H-H2O]+ 392.24503 194.9
[M+HCOO]- 454.24597 218.4
[M+CH3COO]- 468.26162 213.7
[M+Na-2H]- 430.22244 199.4
[M]+ 409.24722 207.2
[M]- 409.24832 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.