CID 465568

Pd120114

Structural Information

Molecular Formula
C19H21FN4O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4C5CCC4CC(C5)N)F)C(=O)O
InChI
InChI=1S/C19H21FN4O3/c20-15-7-13-16(25)14(19(26)27)8-23(10-1-2-10)17(13)22-18(15)24-11-3-4-12(24)6-9(21)5-11/h7-12H,1-6,21H2,(H,26,27)
InChIKey
RWFIYXVDRNEYKO-UHFFFAOYSA-N
Compound name
7-(3-amino-8-azabicyclo[3.2.1]octan-8-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

3
Patents

372.15976 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16704 191.3
[M+Na]+ 395.14898 201.1
[M-H]- 371.15248 194.8
[M+NH4]+ 390.19358 198.0
[M+K]+ 411.12292 192.4
[M+H-H2O]+ 355.15702 182.2
[M+HCOO]- 417.15796 201.9
[M+CH3COO]- 431.17361 198.7
[M+Na-2H]- 393.13443 189.2
[M]+ 372.15921 190.0
[M]- 372.16031 190.0
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