CID 3474

Glafenine

Structural Information

Molecular Formula
C19H17ClN2O4
SMILES
C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
InChIKey
GWOFUCIGLDBNKM-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

199
References

3725
Patents

372.08768 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09496 182.4
[M+Na]+ 395.07690 189.1
[M-H]- 371.08040 185.9
[M+NH4]+ 390.12150 193.0
[M+K]+ 411.05084 183.3
[M+H-H2O]+ 355.08494 174.2
[M+HCOO]- 417.08588 195.9
[M+CH3COO]- 431.10153 213.5
[M+Na-2H]- 393.06235 186.1
[M]+ 372.08713 185.4
[M]- 372.08823 185.4
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.