CID 479051

Schembl9291008

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CCO)F)C(=O)O
InChI
InChI=1S/C19H22FN3O4/c20-15-9-13-16(10-17(15)22-5-3-21(4-6-22)7-8-24)23(12-1-2-12)11-14(18(13)25)19(26)27/h9-12,24H,1-8H2,(H,26,27)
InChIKey
PHNMOKYFOUVECQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

375.15942 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 194.3
[M+Na]+ 398.14864 203.1
[M-H]- 374.15214 197.0
[M+NH4]+ 393.19324 197.3
[M+K]+ 414.12258 195.2
[M+H-H2O]+ 358.15668 183.6
[M+HCOO]- 420.15762 204.8
[M+CH3COO]- 434.17327 217.5
[M+Na-2H]- 396.13409 192.7
[M]+ 375.15887 193.5
[M]- 375.15997 193.5
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