CID 7131336

871673-31-3

Structural Information

Molecular Formula
C12H24N4OS
SMILES
CC(C)(C)NC(=O)CN1CCN(CC1)CC(=S)N
InChI
InChI=1S/C12H24N4OS/c1-12(2,3)14-11(17)9-16-6-4-15(5-7-16)8-10(13)18/h4-9H2,1-3H3,(H2,13,18)(H,14,17)
InChIKey
GPFXGISLMAMSAE-UHFFFAOYSA-N
Compound name
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-tert-butylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.16708 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17436 165.3
[M+Na]+ 295.15630 170.8
[M+NH4]+ 290.20090 170.7
[M+K]+ 311.13024 165.8
[M-H]- 271.15980 164.7
[M+Na-2H]- 293.14175 166.4
[M]+ 272.16653 165.8
[M]- 272.16763 165.8
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

No patent data available for this compound.