CID 3078782

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

Structural Information

Molecular Formula
C11H17N3O3S
SMILES
CC(=O)N(CCCN(C)C)C1=C(SC=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H17N3O3S/c1-9(15)13(7-4-6-12(2)3)10-5-8-18-11(10)14(16)17/h5,8H,4,6-7H2,1-3H3
InChIKey
XYFCLFUFRZFHIE-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-N-(2-nitrothiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09906 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 162.7
[M+Na]+ 294.08828 166.9
[M-H]- 270.09178 168.8
[M+NH4]+ 289.13288 180.8
[M+K]+ 310.06222 162.9
[M+H-H2O]+ 254.09632 159.7
[M+HCOO]- 316.09726 184.9
[M+CH3COO]- 330.11291 201.2
[M+Na-2H]- 292.07373 163.7
[M]+ 271.09851 165.5
[M]- 271.09961 165.5
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.