CID 18990

N-(4-dimethylamino-3,5-dinitrophenyl)maleimide

Structural Information

Molecular Formula
C12H10N4O6
SMILES
CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C=CC2=O)[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O6/c1-13(2)12-8(15(19)20)5-7(6-9(12)16(21)22)14-10(17)3-4-11(14)18/h3-6H,1-2H3
InChIKey
QPYAUURPGVXHFK-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)-3,5-dinitrophenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

624
Patents

306.06003 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06731 165.5
[M+Na]+ 329.04925 171.5
[M-H]- 305.05275 173.0
[M+NH4]+ 324.09385 178.6
[M+K]+ 345.02319 162.2
[M+H-H2O]+ 289.05729 166.3
[M+HCOO]- 351.05823 191.4
[M+CH3COO]- 365.07388 198.5
[M+Na-2H]- 327.03470 171.5
[M]+ 306.05948 163.8
[M]- 306.06058 163.8
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