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 167.4
[M+Na]+ 308.10394 171.2
[M-H]- 284.10744 173.3
[M+NH4]+ 303.14854 184.9
[M+K]+ 324.07788 166.9
[M+H-H2O]+ 268.11198 164.2
[M+HCOO]- 330.11292 189.3
[M+CH3COO]- 344.12857 204.2
[M+Na-2H]- 306.08939 167.9
[M]+ 285.11417 170.5
[M]- 285.11527 170.5
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.