CID 129536

107334-06-5

Structural Information

Molecular Formula
C19H23FN4O3
SMILES
CC(C)(C1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N
InChI
InChI=1S/C19H23FN4O3/c1-19(2,21)10-5-6-23(8-10)17-14(20)7-12-15(25)13(18(26)27)9-24(11-3-4-11)16(12)22-17/h7,9-11H,3-6,8,21H2,1-2H3,(H,26,27)
InChIKey
WZGKUGHHTACDTE-UHFFFAOYSA-N
Compound name
7-[3-(2-aminopropan-2-yl)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

29
Patents

374.1754 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18268 192.0
[M+Na]+ 397.16462 201.6
[M-H]- 373.16812 196.6
[M+NH4]+ 392.20922 197.4
[M+K]+ 413.13856 193.9
[M+H-H2O]+ 357.17266 183.3
[M+HCOO]- 419.17360 204.8
[M+CH3COO]- 433.18925 221.7
[M+Na-2H]- 395.15007 190.2
[M]+ 374.17485 191.9
[M]- 374.17595 191.9
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.