CID 72448

127967-03-7

Structural Information

Molecular Formula
C16H17FN4O3
SMILES
C1CN(C[C@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
InChI
InChI=1S/C16H17FN4O3/c17-12-5-10-13(22)11(16(23)24)7-21(9-1-2-9)14(10)19-15(12)20-4-3-8(18)6-20/h5,7-9H,1-4,6,18H2,(H,23,24)/t8-/m0/s1
InChIKey
MUKSDTOOLRNSIO-QMMMGPOBSA-N
Compound name
7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

130
Patents

332.12848 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13576 179.2
[M+Na]+ 355.11770 190.0
[M-H]- 331.12120 184.1
[M+NH4]+ 350.16230 186.2
[M+K]+ 371.09164 182.1
[M+H-H2O]+ 315.12574 170.1
[M+HCOO]- 377.12668 194.7
[M+CH3COO]- 391.14233 188.3
[M+Na-2H]- 353.10315 177.7
[M]+ 332.12793 178.7
[M]- 332.12903 178.7
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.