CID 121032

2h-1,3,5-thiadiazine-2-thione, tetrahydro-3-benzyl-5-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C12H16N2OS2
SMILES
C1N(CSC(=S)N1CC2=CC=CC=C2)CCO
InChI
InChI=1S/C12H16N2OS2/c15-7-6-13-9-14(12(16)17-10-13)8-11-4-2-1-3-5-11/h1-5,15H,6-10H2
InChIKey
VLOGSPXFMPIPMA-UHFFFAOYSA-N
Compound name
3-benzyl-5-(2-hydroxyethyl)-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.0704 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07768 155.8
[M+Na]+ 291.05962 162.4
[M-H]- 267.06312 157.4
[M+NH4]+ 286.10422 169.6
[M+K]+ 307.03356 155.9
[M+H-H2O]+ 251.06766 148.4
[M+HCOO]- 313.06860 162.4
[M+CH3COO]- 327.08425 165.3
[M+Na-2H]- 289.04507 155.2
[M]+ 268.06985 153.7
[M]- 268.07095 153.7
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