CID 152320

N-(2,4-dinitroanilino)maleimide

Structural Information

Molecular Formula
C10H6N4O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN2C(=O)C=CC2=O
InChI
InChI=1S/C10H6N4O6/c15-9-3-4-10(16)12(9)11-7-2-1-6(13(17)18)5-8(7)14(19)20/h1-5,11H
InChIKey
NBLHPQHLKDLIKS-UHFFFAOYSA-N
Compound name
1-(2,4-dinitroanilino)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

278.02875 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.036026 156.2
[M+Na]+ 301.017968 162.1
[M-H]- 277.021474 162.4
[M+NH4]+ 296.062573 169.6
[M+K]+ 316.991908 151.8
[M+H-H2O]+ 261.026010 157.1
[M+HCOO]- 323.026951 182.4
[M+CH3COO]- 337.042601 188.1
[M+Na-2H]- 299.003416 164.5
[M]+ 278.02820142 152.4
[M]- 278.02929858 152.4
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