CID 46781167

616205-76-6

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2O)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C18H20FN3O4/c1-9-7-21(5-4-20-9)15-13(19)6-11-14(17(15)24)22(10-2-3-10)8-12(16(11)23)18(25)26/h6,8-10,20,24H,2-5,7H2,1H3,(H,25,26)
InChIKey
DXDATEPTOGKWES-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

361.1438 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.151076 189.8
[M+Na]+ 384.133018 199.5
[M-H]- 360.136524 191.9
[M+NH4]+ 379.177623 193.0
[M+K]+ 400.106958 191.0
[M+H-H2O]+ 344.141060 180.0
[M+HCOO]- 406.142001 199.1
[M+CH3COO]- 420.157651 196.7
[M+Na-2H]- 382.118466 187.7
[M]+ 361.14325142 187.6
[M]- 361.14434858 187.6
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