CID 481695

7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C17H17FN4O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4CC5C(C4)C5N)F)C(=O)O
InChI
InChI=1S/C17H17FN4O3/c18-12-3-8-14(23)11(17(24)25)6-22(7-1-2-7)15(8)20-16(12)21-4-9-10(5-21)13(9)19/h3,6-7,9-10,13H,1-2,4-5,19H2,(H,24,25)
InChIKey
HPQJHUNCWWNOJL-UHFFFAOYSA-N
Compound name
7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

344.12848 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13576 192.2
[M+Na]+ 367.11770 202.4
[M-H]- 343.12120 196.9
[M+NH4]+ 362.16230 194.1
[M+K]+ 383.09164 193.7
[M+H-H2O]+ 327.12574 185.2
[M+HCOO]- 389.12668 204.3
[M+CH3COO]- 403.14233 198.6
[M+Na-2H]- 365.10315 188.8
[M]+ 344.12793 194.7
[M]- 344.12903 194.7
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.