CID 88291

19878-61-6

Structural Information

Molecular Formula
C18H34N2S5
SMILES
CC(C)(C)CC(C)(C)SSC1=NN=C(S1)SSC(C)(C)CC(C)(C)C
InChI
InChI=1S/C18H34N2S5/c1-15(2,3)11-17(7,8)24-22-13-19-20-14(21-13)23-25-18(9,10)12-16(4,5)6/h11-12H2,1-10H3
InChIKey
LRYZVOQZDMSPCB-UHFFFAOYSA-N
Compound name
2,5-bis(2,4,4-trimethylpentan-2-yldisulfanyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

983
Patents

438.13257 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.13985 207.8
[M+Na]+ 461.12179 212.9
[M-H]- 437.12529 204.1
[M+NH4]+ 456.16639 216.4
[M+K]+ 477.09573 202.2
[M+H-H2O]+ 421.12983 200.6
[M+HCOO]- 483.13077 195.5
[M+CH3COO]- 497.14642 227.4
[M+Na-2H]- 459.10724 206.4
[M]+ 438.13202 206.1
[M]- 438.13312 206.1
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

patents stripe