CID 3078871

123160-52-1

Structural Information

Molecular Formula
C16H15FN2O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4(CC4)N)F)C(=O)O
InChI
InChI=1S/C16H15FN2O3/c17-12-5-9-13(6-11(12)16(18)3-4-16)19(8-1-2-8)7-10(14(9)20)15(21)22/h5-8H,1-4,18H2,(H,21,22)
InChIKey
YENCVCNPFMWILK-UHFFFAOYSA-N
Compound name
7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.10666 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11394 172.2
[M+Na]+ 325.09588 181.8
[M-H]- 301.09938 179.0
[M+NH4]+ 320.14048 177.2
[M+K]+ 341.06982 177.2
[M+H-H2O]+ 285.10392 166.2
[M+HCOO]- 347.10486 188.0
[M+CH3COO]- 361.12051 180.7
[M+Na-2H]- 323.08133 173.2
[M]+ 302.10611 175.3
[M]- 302.10721 175.3
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

patents stripe