CID 145867068

N-[bis(dimethylamino)(oxo)-lambda6-sulfanylidene]-2-chloroacetamide

Structural Information

Molecular Formula
C6H14ClN3O2S
SMILES
CN(C)S(=NC(=O)CCl)(=O)N(C)C
InChI
InChI=1S/C6H14ClN3O2S/c1-9(2)13(12,10(3)4)8-6(11)5-7/h5H2,1-4H3
InChIKey
QLAGBTACZUISHQ-UHFFFAOYSA-N
Compound name
N-[bis(dimethylamino)-oxo-lambda6-sulfanylidene]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04953 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05681 147.6
[M+Na]+ 250.03875 154.4
[M-H]- 226.04225 152.5
[M+NH4]+ 245.08335 168.1
[M+K]+ 266.01269 154.2
[M+H-H2O]+ 210.04679 142.2
[M+HCOO]- 272.04773 165.1
[M+CH3COO]- 286.06338 200.1
[M+Na-2H]- 248.02420 150.5
[M]+ 227.04898 154.1
[M]- 227.05008 154.1
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

No patent data available for this compound.