CID 5271823

Schembl8775377

Structural Information

Molecular Formula
C19H19ClFN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CC(C5(C4)CC5)N)F)C(=O)O
InChI
InChI=1S/C19H19ClFN3O3/c20-14-15-10(17(25)11(18(26)27)6-24(15)9-1-2-9)5-12(21)16(14)23-7-13(22)19(8-23)3-4-19/h5-6,9,13H,1-4,7-8,22H2,(H,26,27)
InChIKey
JPKXWJYRVJVZOY-UHFFFAOYSA-N
Compound name
7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

391.1099 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11718 190.3
[M+Na]+ 414.09912 200.0
[M-H]- 390.10262 196.8
[M+NH4]+ 409.14372 193.5
[M+K]+ 430.07306 192.9
[M+H-H2O]+ 374.10716 184.9
[M+HCOO]- 436.10810 198.9
[M+CH3COO]- 450.12375 197.1
[M+Na-2H]- 412.08457 186.9
[M]+ 391.10935 193.8
[M]- 391.11045 193.8
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