CID 3058380

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

Structural Information

Molecular Formula
C15H15ClN4O3
SMILES
C=CN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)Cl)C(=O)O
InChI
InChI=1S/C15H15ClN4O3/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/h2,7-8,17H,1,3-6H2,(H,22,23)
InChIKey
IBNRYICCESAGML-UHFFFAOYSA-N
Compound name
6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

334.08328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09056 176.1
[M+Na]+ 357.07250 185.1
[M-H]- 333.07600 175.5
[M+NH4]+ 352.11710 184.7
[M+K]+ 373.04644 177.5
[M+H-H2O]+ 317.08054 166.6
[M+HCOO]- 379.08148 182.4
[M+CH3COO]- 393.09713 184.2
[M+Na-2H]- 355.05795 177.7
[M]+ 334.08273 173.9
[M]- 334.08383 173.9
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

patents stripe