CID 483602

182868-92-4

Structural Information

Molecular Formula
C17H21FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CC(NC(C3)C)C)F)C(=O)O
InChI
InChI=1S/C17H21FN4O3/c1-4-21-8-12(17(24)25)14(23)11-5-13(18)16(20-15(11)21)22-6-9(2)19-10(3)7-22/h5,8-10,19H,4,6-7H2,1-3H3,(H,24,25)
InChIKey
KRKFQVXYIGNOAM-UHFFFAOYSA-N
Compound name
7-(3,5-dimethylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.15976 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16704 186.4
[M+Na]+ 371.14898 195.6
[M-H]- 347.15248 185.1
[M+NH4]+ 366.19358 194.2
[M+K]+ 387.12292 188.9
[M+H-H2O]+ 331.15702 175.7
[M+HCOO]- 393.15796 195.3
[M+CH3COO]- 407.17361 213.2
[M+Na-2H]- 369.13443 185.1
[M]+ 348.15921 183.4
[M]- 348.16031 183.4
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

No patent data available for this compound.