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 183.5
[M+Na]+ 393.14297 187.7
[M-H]- 369.14647 188.5
[M+NH4]+ 388.18757 193.4
[M+K]+ 409.11691 180.1
[M+H-H2O]+ 353.15101 174.2
[M+HCOO]- 415.15195 188.1
[M+CH3COO]- 429.16760 190.9
[M+Na-2H]- 391.12842 180.2
[M]+ 370.15320 181.3
[M]- 370.15430 181.3
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.