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]+ 286.121996 167.4
[M+Na]+ 308.103938 171.2
[M-H]- 284.107444 173.3
[M+NH4]+ 303.148543 184.9
[M+K]+ 324.077878 166.9
[M+H-H2O]+ 268.111980 164.2
[M+HCOO]- 330.112921 189.3
[M+CH3COO]- 344.128571 204.2
[M+Na-2H]- 306.089386 167.9
[M]+ 285.11417142 170.5
[M]- 285.11526858 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.