CID 3008947

Chembl309885

Structural Information

Molecular Formula
C19H17N3O5
SMILES
COC1=CC=C(C=C1)CNC(=O)NC2=NC3=C(C=CC(=C3O)C(=O)O)C=C2
InChI
InChI=1S/C19H17N3O5/c1-27-13-6-2-11(3-7-13)10-20-19(26)22-15-9-5-12-4-8-14(18(24)25)17(23)16(12)21-15/h2-9,23H,10H2,1H3,(H,24,25)(H2,20,21,22,26)
InChIKey
OMFUJBKZZVPIIG-UHFFFAOYSA-N
Compound name
8-hydroxy-2-[(4-methoxyphenyl)methylcarbamoylamino]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

367.11682 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12410 182.8
[M+Na]+ 390.10604 188.7
[M-H]- 366.10954 186.8
[M+NH4]+ 385.15064 192.4
[M+K]+ 406.07998 184.9
[M+H-H2O]+ 350.11408 173.4
[M+HCOO]- 412.11502 202.1
[M+CH3COO]- 426.13067 217.7
[M+Na-2H]- 388.09149 186.9
[M]+ 367.11627 183.7
[M]- 367.11737 183.7
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.