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]+ 242.128776 154.4
[M+Na]+ 264.110718 160.5
[M-H]- 240.114224 160.9
[M+NH4]+ 259.155323 170.7
[M+K]+ 280.084658 156.7
[M+H-H2O]+ 224.118760 146.4
[M+HCOO]- 286.119701 180.7
[M+CH3COO]- 300.135351 199.5
[M+Na-2H]- 262.096166 159.9
[M]+ 241.12095142 151.1
[M]- 241.12204858 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