CID 9549305

196868-63-0

Structural Information

Molecular Formula
C18H16ClN3O2
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=O)NC3=C(C=CC(=C3)Cl)OC
InChI
InChI=1S/C18H16ClN3O2/c1-11-9-15(13-5-3-4-6-14(13)20-11)21-18(23)22-16-10-12(19)7-8-17(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKey
YBLWOZUPHDKFOT-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methoxyphenyl)-3-(2-methylquinolin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

74
Patents

341.0931 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.100376 178.3
[M+Na]+ 364.082318 187.2
[M-H]- 340.085824 184.9
[M+NH4]+ 359.126923 192.0
[M+K]+ 380.056258 181.2
[M+H-H2O]+ 324.090360 169.7
[M+HCOO]- 386.091301 196.8
[M+CH3COO]- 400.106951 215.5
[M+Na-2H]- 362.067766 183.9
[M]+ 341.09255142 182.0
[M]- 341.09364858 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe