CID 14290766

2,3-diacetylaminothiophene

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
CC(=O)NC1=C(SC=C1)NC(=O)C
InChI
InChI=1S/C8H10N2O2S/c1-5(11)9-7-3-4-13-8(7)10-6(2)12/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKey
LXJIEFNJYXFBGP-UHFFFAOYSA-N
Compound name
N-(2-acetamidothiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.0463 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 142.8
[M+Na]+ 221.03552 149.9
[M-H]- 197.03902 147.0
[M+NH4]+ 216.08012 163.8
[M+K]+ 237.00946 148.0
[M+H-H2O]+ 181.04356 136.7
[M+HCOO]- 243.04450 163.6
[M+CH3COO]- 257.06015 185.7
[M+Na-2H]- 219.02097 143.8
[M]+ 198.04575 144.1
[M]- 198.04685 144.1
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