CID 67246

133-55-1

Structural Information

Molecular Formula
C10H10N4O4
SMILES
CN(C(=O)C1=CC=C(C=C1)C(=O)N(C)N=O)N=O
InChI
InChI=1S/C10H10N4O4/c1-13(11-17)9(15)7-3-5-8(6-4-7)10(16)14(2)12-18/h3-6H,1-2H3
InChIKey
CQSQUYVFNGIECQ-UHFFFAOYSA-N
Compound name
1-N,4-N-dimethyl-1-N,4-N-dinitrosobenzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5218
Patents

250.0702 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.077476 151.3
[M+Na]+ 273.059418 157.2
[M-H]- 249.062924 160.8
[M+NH4]+ 268.104023 169.3
[M+K]+ 289.033358 160.6
[M+H-H2O]+ 233.067460 142.6
[M+HCOO]- 295.068401 183.1
[M+CH3COO]- 309.084051 212.9
[M+Na-2H]- 271.044866 156.7
[M]+ 250.06965142 156.6
[M]- 250.07074858 156.6
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