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 166.3
[M+Na]+ 295.15630 169.2
[M-H]- 271.15980 165.4
[M+NH4]+ 290.20090 179.5
[M+K]+ 311.13024 166.2
[M+H-H2O]+ 255.16434 158.8
[M+HCOO]- 317.16528 176.1
[M+CH3COO]- 331.18093 202.0
[M+Na-2H]- 293.14175 164.9
[M]+ 272.16653 162.2
[M]- 272.16763 162.2
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

No patent data available for this compound.