CID 3051899

Urea, n-(2-(4-chlorophenyl)ethyl)-n-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C18H21ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NCCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H21ClN2O4/c1-23-15-10-14(11-16(24-2)17(15)25-3)21-18(22)20-9-8-12-4-6-13(19)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKey
NOHNXMVKHDDCGW-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.119 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12628 184.3
[M+Na]+ 387.10822 191.6
[M-H]- 363.11172 191.2
[M+NH4]+ 382.15282 197.5
[M+K]+ 403.08216 187.6
[M+H-H2O]+ 347.11626 176.3
[M+HCOO]- 409.11720 204.9
[M+CH3COO]- 423.13285 219.5
[M+Na-2H]- 385.09367 186.6
[M]+ 364.11845 191.5
[M]- 364.11955 191.5
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.