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

25
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

literature stripe

Patent stripe

patents stripe