CID 54715427

138304-93-5

Structural Information

Molecular Formula
C19H20N4O3
SMILES
CN(C)CCNC(=O)C1=C(C2=C(N=CC=C2)N(C1=O)C3=CC=CC=C3)O
InChI
InChI=1S/C19H20N4O3/c1-22(2)12-11-21-18(25)15-16(24)14-9-6-10-20-17(14)23(19(15)26)13-7-4-3-5-8-13/h3-10,24H,11-12H2,1-2H3,(H,21,25)
InChIKey
FKUWKBZHLGIEGY-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

352.15353 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16081 183.0
[M+Na]+ 375.14275 190.1
[M-H]- 351.14625 188.2
[M+NH4]+ 370.18735 193.4
[M+K]+ 391.11669 185.9
[M+H-H2O]+ 335.15079 172.5
[M+HCOO]- 397.15173 203.5
[M+CH3COO]- 411.16738 220.8
[M+Na-2H]- 373.12820 187.7
[M]+ 352.15298 185.2
[M]- 352.15408 185.2
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