CID 3078790

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

Structural Information

Molecular Formula
C13H21N3O2S
SMILES
CC(=O)NC1=C(C=CS1)N(CCCN(C)C)C(=O)C
InChI
InChI=1S/C13H21N3O2S/c1-10(17)14-13-12(6-9-19-13)16(11(2)18)8-5-7-15(3)4/h6,9H,5,7-8H2,1-4H3,(H,14,17)
InChIKey
CPKLIGZEKJITCT-UHFFFAOYSA-N
Compound name
N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13544 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14272 170.0
[M+Na]+ 306.12466 174.1
[M-H]- 282.12816 176.0
[M+NH4]+ 301.16926 188.3
[M+K]+ 322.09860 173.9
[M+H-H2O]+ 266.13270 162.0
[M+HCOO]- 328.13364 190.9
[M+CH3COO]- 342.14929 212.6
[M+Na-2H]- 304.11011 167.7
[M]+ 283.13489 174.8
[M]- 283.13599 174.8
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.