CID 135584235

88949-37-5

Structural Information

Molecular Formula
C18H11ClN2O2
SMILES
C1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H11ClN2O2/c19-12-8-6-11(7-9-12)16-14-13(17(22)21-16)15(20-18(14)23)10-4-2-1-3-5-10/h1-9,20,23H
InChIKey
XSLWOAFWQUGVDC-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

225
Patents

322.0509 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.05818 173.6
[M+Na]+ 345.04012 185.5
[M-H]- 321.04362 180.8
[M+NH4]+ 340.08472 189.5
[M+K]+ 361.01406 177.1
[M+H-H2O]+ 305.04816 166.0
[M+HCOO]- 367.04910 189.6
[M+CH3COO]- 381.06475 185.3
[M+Na-2H]- 343.02557 174.0
[M]+ 322.05035 175.7
[M]- 322.05145 175.7
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

patents stripe