CID 5407232

Mls000561398

Structural Information

Molecular Formula
C16H17N3O
SMILES
CC1=CC=C(C=C1)/C(=N\NC(=O)NC2=CC=CC=C2)/C
InChI
InChI=1S/C16H17N3O/c1-12-8-10-14(11-9-12)13(2)18-19-16(20)17-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,17,19,20)/b18-13-
InChIKey
OOBSQOAYNWUUDX-AQTBWJFISA-N
Compound name
1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

267.13718 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 164.5
[M+Na]+ 290.12640 176.1
[M+NH4]+ 285.17100 172.3
[M+K]+ 306.10034 168.8
[M-H]- 266.12990 170.4
[M+Na-2H]- 288.11185 173.6
[M]+ 267.13663 167.6
[M]- 267.13773 167.6
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.