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

literature stripe

Patent stripe

patents stripe