CID 3057925

1,8-naphthyridine-3-carboxylic acid, 1,4-dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H17ClN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)Cl)C(=O)O
InChI
InChI=1S/C15H17ClN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
InChIKey
GOHXUNXBGQICNU-UHFFFAOYSA-N
Compound name
6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

336.0989 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10618 177.0
[M+Na]+ 359.08812 185.7
[M-H]- 335.09162 176.3
[M+NH4]+ 354.13272 185.6
[M+K]+ 375.06206 178.7
[M+H-H2O]+ 319.09616 167.4
[M+HCOO]- 381.09710 183.1
[M+CH3COO]- 395.11275 185.0
[M+Na-2H]- 357.07357 178.5
[M]+ 336.09835 175.5
[M]- 336.09945 175.5
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