CID 465471

Pd120755

Structural Information

Molecular Formula
C19H21F2N3O3S
SMILES
CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N4CCSC4=C(C3=O)C(=O)O)F
InChI
InChI=1S/C19H21F2N3O3S/c1-2-22-8-10-3-4-23(9-10)16-12(20)7-11-15(14(16)21)24-5-6-28-18(24)13(17(11)25)19(26)27/h7,10,22H,2-6,8-9H2,1H3,(H,26,27)
InChIKey
FWEDMKLWKZKMBM-UHFFFAOYSA-N
Compound name
8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7,9-difluoro-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

409.12717 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13445 192.4
[M+Na]+ 432.11639 201.2
[M-H]- 408.11989 195.1
[M+NH4]+ 427.16099 206.3
[M+K]+ 448.09033 195.0
[M+H-H2O]+ 392.12443 184.7
[M+HCOO]- 454.12537 201.7
[M+CH3COO]- 468.14102 201.0
[M+Na-2H]- 430.10184 187.2
[M]+ 409.12662 192.9
[M]- 409.12772 192.9
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

No patent data available for this compound.