CID 3078780

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

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
CC(=O)N(CCN(C)C)C1=C(SC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O3S/c1-8(14)12(6-5-11(2)3)9-4-7-17-10(9)13(15)16/h4,7H,5-6H2,1-3H3
InChIKey
ANWKXZMOVJSSOI-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-N-(2-nitrothiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0834 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 158.0
[M+Na]+ 280.07262 162.6
[M-H]- 256.07612 164.3
[M+NH4]+ 275.11722 176.6
[M+K]+ 296.04656 158.8
[M+H-H2O]+ 240.08066 155.1
[M+HCOO]- 302.08160 180.5
[M+CH3COO]- 316.09725 198.2
[M+Na-2H]- 278.05807 159.4
[M]+ 257.08285 160.4
[M]- 257.08395 160.4
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.