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

literature stripe

Patent stripe

patents stripe