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

10
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

literature stripe

Patent stripe

patents stripe