CID 54718859

Gsk-364735

Structural Information

Molecular Formula
C19H18FN3O4
SMILES
CN1C2=C(C(=C(C1=O)C(=O)NCCO)O)N=CC(=C2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)
InChIKey
QWLNINWUBHHOLU-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

148
Patents

371.12814 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13542 186.9
[M+Na]+ 394.11736 196.0
[M-H]- 370.12086 188.8
[M+NH4]+ 389.16196 196.0
[M+K]+ 410.09130 189.9
[M+H-H2O]+ 354.12540 176.4
[M+HCOO]- 416.12634 203.4
[M+CH3COO]- 430.14199 217.8
[M+Na-2H]- 392.10281 189.1
[M]+ 371.12759 188.0
[M]- 371.12869 188.0
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