CID 100618

61747-35-1

Structural Information

Molecular Formula
C20H34N4S2
SMILES
CC(C)N1C=C(N=C1SSC2=NC(=CN2C(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C20H34N4S2/c1-13(2)23-11-15(19(5,6)7)21-17(23)25-26-18-22-16(20(8,9)10)12-24(18)14(3)4/h11-14H,1-10H3
InChIKey
UACGDGTZNFKYQI-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[(4-tert-butyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

394.2225 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.229776 196.2
[M+Na]+ 417.211718 206.1
[M-H]- 393.215224 199.7
[M+NH4]+ 412.256323 208.7
[M+K]+ 433.185658 201.3
[M+H-H2O]+ 377.219760 189.9
[M+HCOO]- 439.220701 201.5
[M+CH3COO]- 453.236351 223.6
[M+Na-2H]- 415.197166 189.5
[M]+ 394.22195142 205.2
[M]- 394.22304858 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe