CID 3078777

Brn 5954088

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CCCCN(C1=C(SC=C1)NC(=O)C)C(=O)C
InChI
InChI=1S/C12H18N2O2S/c1-4-5-7-14(10(3)16)11-6-8-17-12(11)13-9(2)15/h6,8H,4-5,7H2,1-3H3,(H,13,15)
InChIKey
MEYIDFHICPQESD-UHFFFAOYSA-N
Compound name
N-[3-[acetyl(butyl)amino]thiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1089 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.116176 161.3
[M+Na]+ 277.098118 166.7
[M-H]- 253.101624 166.2
[M+NH4]+ 272.142723 180.6
[M+K]+ 293.072058 165.3
[M+H-H2O]+ 237.106160 154.3
[M+HCOO]- 299.107101 181.3
[M+CH3COO]- 313.122751 201.2
[M+Na-2H]- 275.083566 159.6
[M]+ 254.10835142 165.3
[M]- 254.10944858 165.3
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.