CID 483611

74274-67-2

Structural Information

Molecular Formula
C17H21FN4O3
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)CC)C(=O)O)F
InChI
InChI=1S/C17H21FN4O3/c1-3-20-5-7-22(8-6-20)16-13(18)9-11-14(23)12(17(24)25)10-21(4-2)15(11)19-16/h9-10H,3-8H2,1-2H3,(H,24,25)
InChIKey
RVBJURNLEDDIAW-UHFFFAOYSA-N
Compound name
1-ethyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

348.15976 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16704 185.2
[M+Na]+ 371.14898 193.8
[M-H]- 347.15248 184.8
[M+NH4]+ 366.19358 193.4
[M+K]+ 387.12292 187.8
[M+H-H2O]+ 331.15702 173.7
[M+HCOO]- 393.15796 195.6
[M+CH3COO]- 407.17361 214.0
[M+Na-2H]- 369.13443 185.1
[M]+ 348.15921 183.5
[M]- 348.16031 183.5
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.