CID 2104060

747411-46-7

Structural Information

Molecular Formula
C14H10FN3O3S
SMILES
CCOC(=O)C1=CC(=O)N2C(=NC(=N2)C3=CC=CC=C3F)S1
InChI
InChI=1S/C14H10FN3O3S/c1-2-21-13(20)10-7-11(19)18-14(22-10)16-12(17-18)8-5-3-4-6-9(8)15/h3-7H,2H2,1H3
InChIKey
HNVVSOPUTOTPNF-UHFFFAOYSA-N
Compound name
ethyl 2-(2-fluorophenyl)-7-oxo-[1,2,4]triazolo[5,1-b][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

319.0427 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.04998 168.1
[M+Na]+ 342.03192 181.2
[M-H]- 318.03542 172.3
[M+NH4]+ 337.07652 182.3
[M+K]+ 358.00586 175.8
[M+H-H2O]+ 302.03996 159.1
[M+HCOO]- 364.04090 184.5
[M+CH3COO]- 378.05655 180.3
[M+Na-2H]- 340.01737 170.0
[M]+ 319.04215 174.8
[M]- 319.04325 174.8
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.