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]+ 272.106336 162.7
[M+Na]+ 294.088278 166.9
[M-H]- 270.091784 168.8
[M+NH4]+ 289.132883 180.8
[M+K]+ 310.062218 162.9
[M+H-H2O]+ 254.096320 159.7
[M+HCOO]- 316.097261 184.9
[M+CH3COO]- 330.112911 201.2
[M+Na-2H]- 292.073726 163.7
[M]+ 271.09851142 165.5
[M]- 271.09960858 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.