CID 68856624

Isogatifloxacin

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1CNCCN1C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H22FN3O4/c1-10-8-21-5-6-22(10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
InChIKey
NCPTXLFFAMTMBW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-8-methoxy-7-(2-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

375.15942 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 195.1
[M+Na]+ 398.14864 204.6
[M-H]- 374.15214 198.2
[M+NH4]+ 393.19324 198.3
[M+K]+ 414.12258 196.7
[M+H-H2O]+ 358.15668 184.6
[M+HCOO]- 420.15762 205.4
[M+CH3COO]- 434.17327 218.8
[M+Na-2H]- 396.13409 192.7
[M]+ 375.15887 194.7
[M]- 375.15997 194.7
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

patents stripe