CID 483610

104866-18-4

Structural Information

Molecular Formula
C18H21FN4O3
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
InChI
InChI=1S/C18H21FN4O3/c1-2-21-5-7-22(8-6-21)17-14(19)9-12-15(24)13(18(25)26)10-23(11-3-4-11)16(12)20-17/h9-11H,2-8H2,1H3,(H,25,26)
InChIKey
KPOBPISFAIHUAZ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-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

1
References

2
Patents

360.15976 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16704 197.5
[M+Na]+ 383.14898 207.3
[M-H]- 359.15248 200.3
[M+NH4]+ 378.19358 200.5
[M+K]+ 399.12292 199.1
[M+H-H2O]+ 343.15702 185.9
[M+HCOO]- 405.15796 208.2
[M+CH3COO]- 419.17361 204.4
[M+Na-2H]- 381.13443 196.0
[M]+ 360.15921 196.9
[M]- 360.16031 196.9
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

No patent data available for this compound.