CID 9863827

Ozenoxacin

Structural Information

Molecular Formula
C21H21N3O3
SMILES
CC1=CC(=CN=C1NC)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C
InChI
InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)
InChIKey
XPIJWUTXQAGSLK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-methyl-7-[5-methyl-6-(methylamino)pyridin-3-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

48
References

672
Patents

363.1583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16558 190.4
[M+Na]+ 386.14752 201.7
[M-H]- 362.15102 198.3
[M+NH4]+ 381.19212 196.2
[M+K]+ 402.12146 194.0
[M+H-H2O]+ 346.15556 181.0
[M+HCOO]- 408.15650 209.1
[M+CH3COO]- 422.17215 223.0
[M+Na-2H]- 384.13297 191.7
[M]+ 363.15775 194.9
[M]- 363.15885 194.9
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

patents stripe