CID 459971

Pd 163049

Structural Information

Molecular Formula
C19H25FN4O3
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F
InChI
InChI=1S/C19H25FN4O3/c1-10-7-23(8-11(2)21-10)17-14(20)6-12-15(25)13(18(26)27)9-24(16(12)22-17)19(3,4)5/h6,9-11,21H,7-8H2,1-5H3,(H,26,27)/t10-,11+
InChIKey
OEDVZYKCNVQWEL-PHIMTYICSA-N
Compound name
1-tert-butyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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 196.3
[M+Na]+ 399.18029 204.9
[M-H]- 375.18379 195.0
[M+NH4]+ 394.22489 203.1
[M+K]+ 415.15423 198.5
[M+H-H2O]+ 359.18833 186.0
[M+HCOO]- 421.18927 202.8
[M+CH3COO]- 435.20492 218.9
[M+Na-2H]- 397.16574 195.0
[M]+ 376.19052 193.3
[M]- 376.19162 193.3
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.