CID 3051905

Urea, n-(7-chloro-4-quinolinyl)-n'-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C19H18ClN3O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C19H18ClN3O4/c1-25-16-9-12(10-17(26-2)18(16)27-3)22-19(24)23-14-6-7-21-15-8-11(20)4-5-13(14)15/h4-10H,1-3H3,(H2,21,22,23,24)
InChIKey
JQCZOECASVNHMQ-UHFFFAOYSA-N
Compound name
1-(7-chloroquinolin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

387.09857 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10585 189.1
[M+Na]+ 410.08779 203.7
[M+NH4]+ 405.13239 195.9
[M+K]+ 426.06173 196.1
[M-H]- 386.09129 193.8
[M+Na-2H]- 408.07324 196.5
[M]+ 387.09802 192.8
[M]- 387.09912 192.8
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

patents stripe