CID 211663

23514-96-7

Structural Information

Molecular Formula
C21H26N2S2
SMILES
CC(CC1=CC=CC=C1)N2CN(C(=S)SC2)C(C)CC3=CC=CC=C3
InChI
InChI=1S/C21H26N2S2/c1-17(13-19-9-5-3-6-10-19)22-15-23(21(24)25-16-22)18(2)14-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3
InChIKey
NRYJOOYPJHAVNH-UHFFFAOYSA-N
Compound name
3,5-bis(1-phenylpropan-2-yl)-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15375 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16103 181.6
[M+Na]+ 393.14297 194.7
[M+NH4]+ 388.18757 190.5
[M+K]+ 409.11691 182.6
[M-H]- 369.14647 187.8
[M+Na-2H]- 391.12842 189.9
[M]+ 370.15320 186.3
[M]- 370.15430 186.3
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.