CID 488380

Chembl282196

Structural Information

Molecular Formula
C19H25FN4O3
SMILES
CC1CN(CCN1C)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F
InChI
InChI=1S/C19H25FN4O3/c1-11-9-23(7-6-22(11)5)17-14(20)8-12-15(25)13(18(26)27)10-24(16(12)21-17)19(2,3)4/h8,10-11H,6-7,9H2,1-5H3,(H,26,27)
InChIKey
IMPXTCIWIILKMQ-UHFFFAOYSA-N
Compound name
1-tert-butyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
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 195.6
[M+Na]+ 399.18029 204.6
[M-H]- 375.18379 195.7
[M+NH4]+ 394.22489 203.1
[M+K]+ 415.15423 199.0
[M+H-H2O]+ 359.18833 185.0
[M+HCOO]- 421.18927 203.6
[M+CH3COO]- 435.20492 221.0
[M+Na-2H]- 397.16574 194.7
[M]+ 376.19052 194.4
[M]- 376.19162 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.