CID 479002

Schembl6302049

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
C1CCN(C1)CCNC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H22FN3O3/c20-15-9-13-17(10-16(15)21-5-8-22-6-1-2-7-22)23(12-3-4-12)11-14(18(13)24)19(25)26/h9-12,21H,1-8H2,(H,25,26)
InChIKey
PJZUAGCVNFWTJT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

359.16452 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 182.6
[M+Na]+ 382.15374 191.1
[M-H]- 358.15724 188.3
[M+NH4]+ 377.19834 189.8
[M+K]+ 398.12768 183.6
[M+H-H2O]+ 342.16178 173.4
[M+HCOO]- 404.16272 199.0
[M+CH3COO]- 418.17837 217.7
[M+Na-2H]- 380.13919 181.7
[M]+ 359.16397 183.0
[M]- 359.16507 183.0
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