CID 462061

103460-89-5

Structural Information

Molecular Formula
C18H19F2N3O3
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C18H19F2N3O3/c1-9-7-22(5-4-21-9)16-13(19)6-11-15(14(16)20)23(10-2-3-10)8-12(17(11)24)18(25)26/h6,8-10,21H,2-5,7H2,1H3,(H,25,26)
InChIKey
ZHKOPMSOBOQYRH-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

40
Patents

363.13943 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14671 189.6
[M+Na]+ 386.12865 199.9
[M-H]- 362.13215 191.6
[M+NH4]+ 381.17325 193.4
[M+K]+ 402.10259 191.0
[M+H-H2O]+ 346.13669 178.4
[M+HCOO]- 408.13763 199.2
[M+CH3COO]- 422.15328 196.7
[M+Na-2H]- 384.11410 187.1
[M]+ 363.13888 186.5
[M]- 363.13998 186.5
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