CID 211664

2h-1,3,5-thiadiazine-2-thione, tetrahydro-3,5-diveratryl-

Structural Information

Molecular Formula
C21H26N2O4S2
SMILES
COC1=C(C=C(C=C1)CN2CN(C(=S)SC2)CC3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C21H26N2O4S2/c1-24-17-7-5-15(9-19(17)26-3)11-22-13-23(21(28)29-14-22)12-16-6-8-18(25-2)20(10-16)27-4/h5-10H,11-14H2,1-4H3
InChIKey
RIJLJKBUALKRIF-UHFFFAOYSA-N
Compound name
3,5-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1334 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14068 199.0
[M+Na]+ 457.12262 205.7
[M-H]- 433.12612 205.0
[M+NH4]+ 452.16722 206.8
[M+K]+ 473.09656 199.4
[M+H-H2O]+ 417.13066 189.2
[M+HCOO]- 479.13160 206.2
[M+CH3COO]- 493.14725 227.0
[M+Na-2H]- 455.10807 195.6
[M]+ 434.13285 204.7
[M]- 434.13395 204.7
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

No patent data available for this compound.