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 150.8
[M+Na]+ 277.05434 155.3
[M-H]- 253.05784 155.8
[M+NH4]+ 272.09894 165.3
[M+K]+ 293.02828 147.6
[M+H-H2O]+ 237.06238 152.4
[M+HCOO]- 299.06332 178.3
[M+CH3COO]- 313.07897 190.4
[M+Na-2H]- 275.03979 158.5
[M]+ 254.06457 148.0
[M]- 254.06567 148.0
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

patents stripe