CID 461875

151895-29-3

Structural Information

Molecular Formula
C19H19F2N3O4
SMILES
C1CCN(C(=O)C(C1)N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H19F2N3O4/c20-12-7-10-15(24(9-4-5-9)8-11(17(10)25)19(27)28)14(21)16(12)23-6-2-1-3-13(22)18(23)26/h7-9,13H,1-6,22H2,(H,27,28)
InChIKey
BRNUZUNBOKFZOX-UHFFFAOYSA-N
Compound name
7-(3-amino-2-oxoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

391.13437 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14165 183.4
[M+Na]+ 414.12359 192.1
[M-H]- 390.12709 189.1
[M+NH4]+ 409.16819 187.6
[M+K]+ 430.09753 190.5
[M+H-H2O]+ 374.13163 173.6
[M+HCOO]- 436.13257 196.1
[M+CH3COO]- 450.14822 225.2
[M+Na-2H]- 412.10904 181.0
[M]+ 391.13382 179.1
[M]- 391.13492 179.1
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.