CID 330430

Mls003115954

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=NC3=C(C=CC(=C3)OC)C(=C2)Cl
InChI
InChI=1S/C19H18ClN3O2/c1-11-5-4-6-12(2)18(11)23-19(24)22-17-10-15(20)14-8-7-13(25-3)9-16(14)21-17/h4-10H,1-3H3,(H2,21,22,23,24)
InChIKey
BPKXTUAMQCILGN-UHFFFAOYSA-N
Compound name
1-(4-chloro-7-methoxyquinolin-2-yl)-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

355.10876 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 183.6
[M+Na]+ 378.09798 193.0
[M-H]- 354.10148 190.4
[M+NH4]+ 373.14258 197.0
[M+K]+ 394.07192 186.8
[M+H-H2O]+ 338.10602 175.0
[M+HCOO]- 400.10696 201.7
[M+CH3COO]- 414.12261 219.8
[M+Na-2H]- 376.08343 187.9
[M]+ 355.10821 188.1
[M]- 355.10931 188.1
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

No patent data available for this compound.