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

literature stripe

Patent stripe

patents stripe