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

literature stripe

Patent stripe

patents stripe