CID 90486699

N-(5-chloro-2,4-dimethoxyphenyl)-n'-(3-(trifluoromethyl)phenyl)urea

Structural Information

Molecular Formula
C16H14ClF3N2O3
SMILES
COC1=CC(=C(C=C1NC(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl)OC
InChI
InChI=1S/C16H14ClF3N2O3/c1-24-13-8-14(25-2)12(7-11(13)17)22-15(23)21-10-5-3-4-9(6-10)16(18,19)20/h3-8H,1-2H3,(H2,21,22,23)
InChIKey
LMBPADWXHYRTAW-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0645 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07178 180.5
[M+Na]+ 397.05372 189.5
[M-H]- 373.05722 184.0
[M+NH4]+ 392.09832 193.4
[M+K]+ 413.02766 184.4
[M+H-H2O]+ 357.06176 170.8
[M+HCOO]- 419.06270 196.8
[M+CH3COO]- 433.07835 219.2
[M+Na-2H]- 395.03917 182.9
[M]+ 374.06395 181.8
[M]- 374.06505 181.8
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.