CID 478996

M1-enrofloxacin hydrochloride

Structural Information

Molecular Formula
C17H20FN3O3
SMILES
CCNCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C17H20FN3O3/c1-2-19-5-6-20-14-8-15-11(7-13(14)18)16(22)12(17(23)24)9-21(15)10-3-4-10/h7-10,19-20H,2-6H2,1H3,(H,23,24)
InChIKey
QBOLFZHJHTUXPT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[2-(ethylamino)ethylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.14886 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15614 173.7
[M+Na]+ 356.13808 183.2
[M-H]- 332.14158 178.3
[M+NH4]+ 351.18268 181.8
[M+K]+ 372.11202 176.4
[M+H-H2O]+ 316.14612 165.0
[M+HCOO]- 378.14706 193.9
[M+CH3COO]- 392.16271 217.8
[M+Na-2H]- 354.12353 176.6
[M]+ 333.14831 176.9
[M]- 333.14941 176.9
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

No patent data available for this compound.