CID 99180

N-(2,4-dinitrophenyl)-n'-phenylurea

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]+ 303.07240 161.9
[M+Na]+ 325.05434 164.9
[M-H]- 301.05784 168.2
[M+NH4]+ 320.09894 173.2
[M+K]+ 341.02828 154.5
[M+H-H2O]+ 285.06238 161.9
[M+HCOO]- 347.06332 188.8
[M+CH3COO]- 361.07897 194.9
[M+Na-2H]- 323.03979 171.1
[M]+ 302.06457 157.0
[M]- 302.06567 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.