CID 461417

Schembl8924280

Structural Information

Molecular Formula
C18H21FN4O3
SMILES
CC(C1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N
InChI
InChI=1S/C18H21FN4O3/c1-9(20)10-4-5-22(7-10)17-14(19)6-12-15(24)13(18(25)26)8-23(11-2-3-11)16(12)21-17/h6,8-11H,2-5,7,20H2,1H3,(H,25,26)
InChIKey
WPMBVEWHIIMBCK-UHFFFAOYSA-N
Compound name
7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
Patents

360.15976 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16704 186.2
[M+Na]+ 383.14898 195.8
[M-H]- 359.15248 190.9
[M+NH4]+ 378.19358 192.0
[M+K]+ 399.12292 188.1
[M+H-H2O]+ 343.15702 177.1
[M+HCOO]- 405.15796 200.1
[M+CH3COO]- 419.17361 219.3
[M+Na-2H]- 381.13443 182.9
[M]+ 360.15921 185.8
[M]- 360.16031 185.8
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.