CID 306282

1-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)urea

Structural Information

Molecular Formula
C16H17ClN2O3
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)NC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C16H17ClN2O3/c1-10-4-5-11(17)8-13(10)18-16(20)19-14-9-12(21-2)6-7-15(14)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKey
ZEISRRIOTSIQCA-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.09277 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10005 172.8
[M+Na]+ 343.08199 181.2
[M-H]- 319.08549 180.1
[M+NH4]+ 338.12659 187.9
[M+K]+ 359.05593 176.9
[M+H-H2O]+ 303.09003 165.5
[M+HCOO]- 365.09097 193.8
[M+CH3COO]- 379.10662 211.3
[M+Na-2H]- 341.06744 175.9
[M]+ 320.09222 177.9
[M]- 320.09332 177.9
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

patents stripe