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

literature stripe

Patent stripe

patents stripe