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]+ 303.125876 171.8
[M+Na]+ 325.107818 178.8
[M-H]- 301.111324 178.6
[M+NH4]+ 320.152423 187.4
[M+K]+ 341.081758 173.4
[M+H-H2O]+ 285.115860 164.8
[M+HCOO]- 347.116801 191.1
[M+CH3COO]- 361.132451 209.7
[M+Na-2H]- 323.093266 173.8
[M]+ 302.11805142 173.4
[M]- 302.11914858 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.