CID 45051164

N-(3-chloro-4-methylphenyl)-n'-(2,6-diisopropylphenyl)urea

Structural Information

Molecular Formula
C20H25ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C)Cl
InChI
InChI=1S/C20H25ClN2O/c1-12(2)16-7-6-8-17(13(3)4)19(16)23-20(24)22-15-10-9-14(5)18(21)11-15/h6-13H,1-5H3,(H2,22,23,24)
InChIKey
CMEMCWLJYPVWSY-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16553 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.172806 185.1
[M+Na]+ 367.154748 191.5
[M-H]- 343.158254 191.8
[M+NH4]+ 362.199353 199.3
[M+K]+ 383.128688 186.1
[M+H-H2O]+ 327.162790 177.9
[M+HCOO]- 389.163731 202.4
[M+CH3COO]- 403.179381 220.8
[M+Na-2H]- 365.140196 183.6
[M]+ 344.16498142 187.7
[M]- 344.16607858 187.7
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.