CID 3073631

151092-58-9

Structural Information

Molecular Formula
C16H18FN3O2S
SMILES
C1CN(CC=C1C2=NNC(=O)CS2)CC(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C16H18FN3O2S/c17-13-3-1-11(2-4-13)14(21)9-20-7-5-12(6-8-20)16-19-18-15(22)10-23-16/h1-5,14,21H,6-10H2,(H,18,22)
InChIKey
XGNSLFABQFTHIE-UHFFFAOYSA-N
Compound name
2-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

335.11038 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11766 175.4
[M+Na]+ 358.09960 180.4
[M-H]- 334.10310 176.1
[M+NH4]+ 353.14420 183.4
[M+K]+ 374.07354 173.5
[M+H-H2O]+ 318.10764 164.9
[M+HCOO]- 380.10858 181.4
[M+CH3COO]- 394.12423 182.4
[M+Na-2H]- 356.08505 173.9
[M]+ 335.10983 168.8
[M]- 335.11093 168.8
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