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

49
Patents

341.0931 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10038 178.7
[M+Na]+ 364.08232 194.2
[M+NH4]+ 359.12692 186.9
[M+K]+ 380.05626 185.5
[M-H]- 340.08582 184.4
[M+Na-2H]- 362.06777 187.4
[M]+ 341.09255 182.9
[M]- 341.09365 182.9
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