CID 488393

Chembl283385

Structural Information

Molecular Formula
C19H25FN4O3
SMILES
CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CCC(C3)N(C)C)F)C(=O)O
InChI
InChI=1S/C19H25FN4O3/c1-19(2,3)24-10-13(18(26)27)15(25)12-8-14(20)17(21-16(12)24)23-7-6-11(9-23)22(4)5/h8,10-11H,6-7,9H2,1-5H3,(H,26,27)
InChIKey
YIZFAZMGJJONSY-UHFFFAOYSA-N
Compound name
1-tert-butyl-7-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.19107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19835 190.8
[M+Na]+ 399.18029 198.9
[M-H]- 375.18379 194.0
[M+NH4]+ 394.22489 201.8
[M+K]+ 415.15423 195.1
[M+H-H2O]+ 359.18833 181.4
[M+HCOO]- 421.18927 204.2
[M+CH3COO]- 435.20492 224.5
[M+Na-2H]- 397.16574 189.3
[M]+ 376.19052 191.6
[M]- 376.19162 191.6
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.