CID 3630608

Semicarbazide, 4-(2,4-dinitrophenyl)-

Structural Information

Molecular Formula
C7H7N5O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)NN
InChI
InChI=1S/C7H7N5O5/c8-10-7(13)9-5-2-1-4(11(14)15)3-6(5)12(16)17/h1-3H,8H2,(H2,9,10,13)
InChIKey
GVQACLHWNTVJSP-UHFFFAOYSA-N
Compound name
1-amino-3-(2,4-dinitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04472 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05200 141.8
[M+Na]+ 264.03394 145.9
[M-H]- 240.03744 145.0
[M+NH4]+ 259.07854 155.4
[M+K]+ 280.00788 137.0
[M+H-H2O]+ 224.04198 143.2
[M+HCOO]- 286.04292 169.7
[M+CH3COO]- 300.05857 185.2
[M+Na-2H]- 262.01939 150.9
[M]+ 241.04417 135.4
[M]- 241.04527 135.4
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

No patent data available for this compound.