CID 45051165

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

Structural Information

Molecular Formula
C20H17ClN2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)Cl
InChI
InChI=1S/C20H17ClN2O2/c1-14-7-8-16(13-19(14)21)23-20(24)22-15-9-11-18(12-10-15)25-17-5-3-2-4-6-17/h2-13H,1H3,(H2,22,23,24)
InChIKey
KFZXMDNWUOXYCL-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(4-phenoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.09787 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10515 182.4
[M+Na]+ 375.08709 189.5
[M-H]- 351.09059 192.1
[M+NH4]+ 370.13169 195.3
[M+K]+ 391.06103 183.2
[M+H-H2O]+ 335.09513 173.5
[M+HCOO]- 397.09607 203.1
[M+CH3COO]- 411.11172 215.8
[M+Na-2H]- 373.07254 186.7
[M]+ 352.09732 184.6
[M]- 352.09842 184.6
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.