CID 99180

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

Structural Information

Molecular Formula
C13H10N4O5
SMILES
C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O5/c18-13(14-9-4-2-1-3-5-9)15-11-7-6-10(16(19)20)8-12(11)17(21)22/h1-8H,(H2,14,15,18)
InChIKey
XNOHEJHNJFDRPM-UHFFFAOYSA-N
Compound name
1-(2,4-dinitrophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06512 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.072396 161.9
[M+Na]+ 325.054338 164.9
[M-H]- 301.057844 168.2
[M+NH4]+ 320.098943 173.2
[M+K]+ 341.028278 154.5
[M+H-H2O]+ 285.062380 161.9
[M+HCOO]- 347.063321 188.8
[M+CH3COO]- 361.078971 194.9
[M+Na-2H]- 323.039786 171.1
[M]+ 302.06457142 157.0
[M]- 302.06566858 157.0
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

No patent data available for this compound.