CID 3088570

N(sup 3),n(sup 5)-bis(cyclohexyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2h,4h)-diimine

Structural Information

Molecular Formula
C16H28N4S
SMILES
CN1C(=NC2CCCCC2)N(SC1=NC3CCCCC3)C
InChI
InChI=1S/C16H28N4S/c1-19-15(17-13-9-5-3-6-10-13)20(2)21-16(19)18-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKey
BDJKYEQJOCUFLZ-UHFFFAOYSA-N
Compound name
3-N,5-N-dicyclohexyl-2,4-dimethyl-1,2,4-thiadiazolidine-3,5-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.20346 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21074 173.7
[M+Na]+ 331.19268 177.9
[M-H]- 307.19618 182.1
[M+NH4]+ 326.23728 188.9
[M+K]+ 347.16662 173.6
[M+H-H2O]+ 291.20072 163.8
[M+HCOO]- 353.20166 188.9
[M+CH3COO]- 367.21731 183.4
[M+Na-2H]- 329.17813 171.4
[M]+ 308.20291 168.7
[M]- 308.20401 168.7
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.