CID 24711178

3-(3-amino-4-methylphenyl)-1-phenylurea

Structural Information

Molecular Formula
C14H15N3O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)N
InChI
InChI=1S/C14H15N3O/c1-10-7-8-12(9-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H2,16,17,18)
InChIKey
LUIRBDMOQGRIKJ-UHFFFAOYSA-N
Compound name
1-(3-amino-4-methylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

241.1215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 154.4
[M+Na]+ 264.11072 160.5
[M-H]- 240.11422 160.9
[M+NH4]+ 259.15532 170.7
[M+K]+ 280.08466 156.7
[M+H-H2O]+ 224.11876 146.4
[M+HCOO]- 286.11970 180.7
[M+CH3COO]- 300.13535 199.5
[M+Na-2H]- 262.09617 159.9
[M]+ 241.12095 151.1
[M]- 241.12205 151.1
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