CID 4111950

4-phenyl-1-(p-tolyl)semicarbazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 153.3
[M+Na]+ 264.110718 158.4
[M-H]- 240.114224 160.0
[M+NH4]+ 259.155323 169.6
[M+K]+ 280.084658 154.9
[M+H-H2O]+ 224.118760 145.1
[M+HCOO]- 286.119701 180.2
[M+CH3COO]- 300.135351 198.9
[M+Na-2H]- 262.096166 160.7
[M]+ 241.12095142 150.6
[M]- 241.12204858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.