CID 3435171

1-(4-chloro-7-methoxyquinolin-2-yl)-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C18H16ClN3O3
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=NC3=C(C=CC(=C3)OC)C(=C2)Cl
InChI
InChI=1S/C18H16ClN3O3/c1-24-12-5-3-11(4-6-12)20-18(23)22-17-10-15(19)14-8-7-13(25-2)9-16(14)21-17/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKey
KBBAVOIQGDJGRF-UHFFFAOYSA-N
Compound name
1-(4-chloro-7-methoxyquinolin-2-yl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.088 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09528 180.7
[M+Na]+ 380.07722 189.4
[M-H]- 356.08072 187.3
[M+NH4]+ 375.12182 193.6
[M+K]+ 396.05116 184.2
[M+H-H2O]+ 340.08526 171.9
[M+HCOO]- 402.08620 199.4
[M+CH3COO]- 416.10185 217.7
[M+Na-2H]- 378.06267 186.5
[M]+ 357.08745 185.8
[M]- 357.08855 185.8
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.