CID 132781

143375-60-4

Structural Information

Molecular Formula
C18H19F2N3O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCOC(C4)CN)F)C(=O)O
InChI
InChI=1S/C18H19F2N3O4/c19-13-5-11-15(14(20)16(13)22-3-4-27-10(6-21)7-22)23(9-1-2-9)8-12(17(11)24)18(25)26/h5,8-10H,1-4,6-7,21H2,(H,25,26)
InChIKey
MVKGRIHKSLEKTE-UHFFFAOYSA-N
Compound name
7-[2-(aminomethyl)morpholin-4-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

379.13437 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14165 191.2
[M+Na]+ 402.12359 202.2
[M+NH4]+ 397.16819 195.7
[M+K]+ 418.09753 199.2
[M-H]- 378.12709 199.3
[M+Na-2H]- 400.10904 195.1
[M]+ 379.13382 195.7
[M]- 379.13492 195.7
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