CID 4465075

1-(2-methyl-4-nitrophenyl)-3-phenylurea

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H13N3O3/c1-10-9-12(17(19)20)7-8-13(10)16-14(18)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,18)
InChIKey
USFXVROWTKFBFA-UHFFFAOYSA-N
Compound name
1-(2-methyl-4-nitrophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.0957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 158.1
[M+Na]+ 294.08492 163.0
[M-H]- 270.08842 164.8
[M+NH4]+ 289.12952 172.5
[M+K]+ 310.05886 156.0
[M+H-H2O]+ 254.09296 154.3
[M+HCOO]- 316.09390 184.8
[M+CH3COO]- 330.10955 195.9
[M+Na-2H]- 292.07037 165.4
[M]+ 271.09515 155.2
[M]- 271.09625 155.2
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