CID 3078786

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

Structural Information

Molecular Formula
C13H21N3O3S
SMILES
CCN(CC)CCCN(C1=C(SC=C1)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C13H21N3O3S/c1-4-14(5-2)8-6-9-15(11(3)17)12-7-10-20-13(12)16(18)19/h7,10H,4-6,8-9H2,1-3H3
InChIKey
BDEUFYZHCAABSO-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-N-(2-nitrothiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.13037 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13765 172.1
[M+Na]+ 322.11959 175.5
[M-H]- 298.12309 177.8
[M+NH4]+ 317.16419 189.0
[M+K]+ 338.09353 170.9
[M+H-H2O]+ 282.12763 168.7
[M+HCOO]- 344.12857 193.7
[M+CH3COO]- 358.14422 207.2
[M+Na-2H]- 320.10504 172.1
[M]+ 299.12982 175.6
[M]- 299.13092 175.6
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.