CID 459970

116162-95-9

Structural Information

Molecular Formula
C18H23FN4O3
SMILES
CC1CN(CCN1)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F
InChI
InChI=1S/C18H23FN4O3/c1-10-8-22(6-5-20-10)16-13(19)7-11-14(24)12(17(25)26)9-23(15(11)21-16)18(2,3)4/h7,9-10,20H,5-6,8H2,1-4H3,(H,25,26)
InChIKey
QXNOSGDKQAIMRL-UHFFFAOYSA-N
Compound name
1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

362.1754 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18268 191.4
[M+Na]+ 385.16462 199.6
[M-H]- 361.16812 189.9
[M+NH4]+ 380.20922 198.5
[M+K]+ 401.13856 193.3
[M+H-H2O]+ 345.17266 181.1
[M+HCOO]- 407.17360 198.3
[M+CH3COO]- 421.18925 214.6
[M+Na-2H]- 383.15007 191.3
[M]+ 362.17485 187.7
[M]- 362.17595 187.7
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.