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]+ 358.095276 180.7
[M+Na]+ 380.077218 189.4
[M-H]- 356.080724 187.3
[M+NH4]+ 375.121823 193.6
[M+K]+ 396.051158 184.2
[M+H-H2O]+ 340.085260 171.9
[M+HCOO]- 402.086201 199.4
[M+CH3COO]- 416.101851 217.7
[M+Na-2H]- 378.062666 186.5
[M]+ 357.08745142 185.8
[M]- 357.08854858 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.