CID 4210951

264218-23-7

Structural Information

Molecular Formula
C16H10ClN3O5
SMILES
C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
InChIKey
PQCXVIPXISBFPN-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-hydroxyanilino)-4-(2-nitrophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

139
References

891
Patents

359.03088 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03816 177.5
[M+Na]+ 382.02010 191.3
[M+NH4]+ 377.06470 183.3
[M+K]+ 397.99404 189.8
[M-H]- 358.02360 182.5
[M+Na-2H]- 380.00555 184.0
[M]+ 359.03033 180.8
[M]- 359.03143 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe