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 188.3
[M+Na]+ 410.08779 197.1
[M-H]- 386.09129 195.1
[M+NH4]+ 405.13239 200.1
[M+K]+ 426.06173 192.6
[M+H-H2O]+ 370.09583 179.2
[M+HCOO]- 432.09677 206.7
[M+CH3COO]- 446.11242 224.2
[M+Na-2H]- 408.07324 192.9
[M]+ 387.09802 195.5
[M]- 387.09912 195.5
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