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

literature stripe

Patent stripe

patents stripe