CID 483502

91187-82-5

Structural Information

Molecular Formula
C17H21FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCC(C3)CNC)F)C(=O)O
InChI
InChI=1S/C17H21FN4O3/c1-3-21-9-12(17(24)25)14(23)11-6-13(18)16(20-15(11)21)22-5-4-10(8-22)7-19-2/h6,9-10,19H,3-5,7-8H2,1-2H3,(H,24,25)
InChIKey
KADAPIRHXVRMJV-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

348.15976 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16704 181.9
[M+Na]+ 371.14898 190.4
[M-H]- 347.15248 183.5
[M+NH4]+ 366.19358 193.2
[M+K]+ 387.12292 185.0
[M+H-H2O]+ 331.15702 172.0
[M+HCOO]- 393.15796 197.2
[M+CH3COO]- 407.17361 215.6
[M+Na-2H]- 369.13443 180.9
[M]+ 348.15921 181.3
[M]- 348.16031 181.3
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.