CID 15958277

Chembl377759

Structural Information

Molecular Formula
C19H17FN4O3
SMILES
CC(=O)N(C)C1=NC(=C(C2=C1C=CC=N2)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H17FN4O3/c1-11(25)24(2)18-14-4-3-9-21-15(14)17(26)16(23-18)19(27)22-10-12-5-7-13(20)8-6-12/h3-9,26H,10H2,1-2H3,(H,22,27)
InChIKey
WXPPJCCGUFQJSD-UHFFFAOYSA-N
Compound name
5-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

368.12848 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13576 185.6
[M+Na]+ 391.11770 192.7
[M-H]- 367.12120 189.7
[M+NH4]+ 386.16230 195.3
[M+K]+ 407.09164 188.6
[M+H-H2O]+ 351.12574 174.5
[M+HCOO]- 413.12668 204.2
[M+CH3COO]- 427.14233 223.7
[M+Na-2H]- 389.10315 188.7
[M]+ 368.12793 186.2
[M]- 368.12903 186.2
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.