CID 3078784

Acetamide, n-(2-(diethylamino)ethyl)-n-(2-nitro-3-thienyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H19N3O3S
SMILES
CCN(CC)CCN(C1=C(SC=C1)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C12H19N3O3S/c1-4-13(5-2)7-8-14(10(3)16)11-6-9-19-12(11)15(17)18/h6,9H,4-5,7-8H2,1-3H3
InChIKey
XWVQGCGMWWPMPG-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-N-(2-nitrothiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11472 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12200 164.3
[M+Na]+ 308.10394 171.7
[M+NH4]+ 303.14854 171.0
[M+K]+ 324.07788 170.0
[M-H]- 284.10744 167.2
[M+Na-2H]- 306.08939 167.4
[M]+ 285.11417 166.1
[M]- 285.11527 166.1
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.