CID 3306222

1-(4-cyanophenyl)-3-(p-tolyl)urea

Structural Information

Molecular Formula
C15H13N3O
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H13N3O/c1-11-2-6-13(7-3-11)17-15(19)18-14-8-4-12(10-16)5-9-14/h2-9H,1H3,(H2,17,18,19)
InChIKey
FBTIGRFRGXFPNM-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 164.4
[M+Na]+ 274.09509 173.1
[M-H]- 250.09859 169.7
[M+NH4]+ 269.13969 178.9
[M+K]+ 290.06903 167.7
[M+H-H2O]+ 234.10313 150.1
[M+HCOO]- 296.10407 185.6
[M+CH3COO]- 310.11972 209.6
[M+Na-2H]- 272.08054 168.6
[M]+ 251.10532 157.7
[M]- 251.10642 157.7
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.