CID 3051737

67767-32-2

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
CC1CNC(=S)N(C1(C)O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H18N2O2S/c1-9-8-14-12(18)15(13(9,2)16)10-4-6-11(17-3)7-5-10/h4-7,9,16H,8H2,1-3H3,(H,14,18)
InChIKey
BTWCZDBFJBGFKB-UHFFFAOYSA-N
Compound name
6-hydroxy-1-(4-methoxyphenyl)-5,6-dimethyl-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1089 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116176 159.3
[M+Na]+ 289.098118 167.3
[M-H]- 265.101624 160.8
[M+NH4]+ 284.142723 174.8
[M+K]+ 305.072058 162.2
[M+H-H2O]+ 249.106160 152.7
[M+HCOO]- 311.107101 169.6
[M+CH3COO]- 325.122751 191.6
[M+Na-2H]- 287.083566 159.9
[M]+ 266.10835142 157.6
[M]- 266.10944858 157.6
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

No patent data available for this compound.