CID 488310

Schembl9685180

Structural Information

Molecular Formula
C20H25FN4O3
SMILES
CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CC4CCC(C3)N4C)F)C(=O)O
InChI
InChI=1S/C20H25FN4O3/c1-20(2,3)25-10-14(19(27)28)16(26)13-7-15(21)18(22-17(13)25)24-8-11-5-6-12(9-24)23(11)4/h7,10-12H,5-6,8-9H2,1-4H3,(H,27,28)
InChIKey
JOBSUSVEXIDLEH-UHFFFAOYSA-N
Compound name
1-tert-butyl-6-fluoro-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

388.19107 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19835 199.0
[M+Na]+ 411.18029 207.7
[M-H]- 387.18379 198.6
[M+NH4]+ 406.22489 209.3
[M+K]+ 427.15423 201.8
[M+H-H2O]+ 371.18833 189.4
[M+HCOO]- 433.18927 205.5
[M+CH3COO]- 447.20492 223.1
[M+Na-2H]- 409.16574 197.6
[M]+ 388.19052 198.2
[M]- 388.19162 198.2
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