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

3525
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

literature stripe

Patent stripe

patents stripe