CID 488392

Chembl282078

Structural Information

Molecular Formula
C19H25FN4O3
SMILES
CCNC1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F
InChI
InChI=1S/C19H25FN4O3/c1-5-21-11-6-7-23(9-11)17-14(20)8-12-15(25)13(18(26)27)10-24(16(12)22-17)19(2,3)4/h8,10-11,21H,5-7,9H2,1-4H3,(H,26,27)
InChIKey
CZKDOIIICOJKSF-UHFFFAOYSA-N
Compound name
1-tert-butyl-7-[3-(ethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.19107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19835 192.1
[M+Na]+ 399.18029 200.1
[M-H]- 375.18379 193.8
[M+NH4]+ 394.22489 202.5
[M+K]+ 415.15423 194.9
[M+H-H2O]+ 359.18833 182.8
[M+HCOO]- 421.18927 205.0
[M+CH3COO]- 435.20492 221.3
[M+Na-2H]- 397.16574 191.2
[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.