CID 99179

Urea, 1,1-dimethyl-3-(2,4-dinitrophenyl)-

Structural Information

Molecular Formula
C9H10N4O5
SMILES
CN(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O5/c1-11(2)9(14)10-7-4-3-6(12(15)16)5-8(7)13(17)18/h3-5H,1-2H3,(H,10,14)
InChIKey
YNGYYVJAOOEVDA-UHFFFAOYSA-N
Compound name
3-(2,4-dinitrophenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06512 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07240 163.7
[M+Na]+ 277.05434 169.8
[M+NH4]+ 272.09894 172.4
[M+K]+ 293.02828 178.9
[M-H]- 253.05784 159.3
[M+Na-2H]- 275.03979 161.6
[M]+ 254.06457 165.4
[M]- 254.06567 165.4
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.