CID 461434

Pd 108666

Structural Information

Molecular Formula
C17H18N4O4
SMILES
CCN1C=C(C(=O)C2=C1N=C(C=C2)C3=C(N(N=C3)CCO)C)C(=O)O
InChI
InChI=1S/C17H18N4O4/c1-3-20-9-13(17(24)25)15(23)11-4-5-14(19-16(11)20)12-8-18-21(6-7-22)10(12)2/h4-5,8-9,22H,3,6-7H2,1-2H3,(H,24,25)
InChIKey
VUXAJPXZVNYFRY-UHFFFAOYSA-N
Compound name
1-ethyl-7-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.1328 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14008 180.6
[M+Na]+ 365.12202 192.2
[M-H]- 341.12552 182.3
[M+NH4]+ 360.16662 190.7
[M+K]+ 381.09596 186.3
[M+H-H2O]+ 325.13006 171.4
[M+HCOO]- 387.13100 197.4
[M+CH3COO]- 401.14665 209.6
[M+Na-2H]- 363.10747 181.9
[M]+ 342.13225 186.0
[M]- 342.13335 186.0
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

No patent data available for this compound.