CID 45051163

N-(3-chloro-4-methylphenyl)-n'-(4-isopropylphenyl)urea

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(C)C)Cl
InChI
InChI=1S/C17H19ClN2O/c1-11(2)13-5-8-14(9-6-13)19-17(21)20-15-7-4-12(3)16(18)10-15/h4-11H,1-3H3,(H2,19,20,21)
InChIKey
SMFXCNKAMJMTIW-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1186 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12588 171.8
[M+Na]+ 325.10782 178.8
[M-H]- 301.11132 178.6
[M+NH4]+ 320.15242 187.4
[M+K]+ 341.08176 173.4
[M+H-H2O]+ 285.11586 164.8
[M+HCOO]- 347.11680 191.1
[M+CH3COO]- 361.13245 209.7
[M+Na-2H]- 323.09327 173.8
[M]+ 302.11805 173.4
[M]- 302.11915 173.4
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.