CID 488395

Chembl26947

Structural Information

Molecular Formula
C18H23FN4O3
SMILES
CC1(CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F)N
InChI
InChI=1S/C18H23FN4O3/c1-17(2,3)23-8-11(16(25)26)13(24)10-7-12(19)15(21-14(10)23)22-6-5-18(4,20)9-22/h7-8H,5-6,9,20H2,1-4H3,(H,25,26)
InChIKey
SYLREKHIKALRPX-UHFFFAOYSA-N
Compound name
7-(3-amino-3-methylpyrrolidin-1-yl)-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

362.1754 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18268 186.5
[M+Na]+ 385.16462 196.1
[M-H]- 361.16812 188.3
[M+NH4]+ 380.20922 199.4
[M+K]+ 401.13856 191.2
[M+H-H2O]+ 345.17266 178.2
[M+HCOO]- 407.17360 199.3
[M+CH3COO]- 421.18925 217.4
[M+Na-2H]- 383.15007 186.6
[M]+ 362.17485 185.2
[M]- 362.17595 185.2
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.