CID 488352

Chembl355956

Structural Information

Molecular Formula
C19H21FN4O3
SMILES
CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC4CCC3CN4)C5CC5)C(=O)O
InChI
InChI=1S/C19H21FN4O3/c1-9-14-16(25)13(19(26)27)8-24(11-4-5-11)17(14)22-18(15(9)20)23-7-10-2-3-12(23)6-21-10/h8,10-12,21H,2-7H2,1H3,(H,26,27)
InChIKey
HCLSNBWSHOJGHB-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.15976 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16704 196.9
[M+Na]+ 395.14898 204.6
[M-H]- 371.15248 192.0
[M+NH4]+ 390.19358 202.8
[M+K]+ 411.12292 195.7
[M+H-H2O]+ 355.15702 186.1
[M+HCOO]- 417.15796 196.7
[M+CH3COO]- 431.17361 201.1
[M+Na-2H]- 393.13443 200.2
[M]+ 372.15921 198.1
[M]- 372.16031 198.1
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

No patent data available for this compound.