CID 3078788

122777-82-6

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CC(=O)NC1=C(C=CS1)N(CCN(C)C)C(=O)C
InChI
InChI=1S/C12H19N3O2S/c1-9(16)13-12-11(5-8-18-12)15(10(2)17)7-6-14(3)4/h5,8H,6-7H2,1-4H3,(H,13,16)
InChIKey
NNORZYFXJMDCMM-UHFFFAOYSA-N
Compound name
N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1198 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12708 164.8
[M+Na]+ 292.10902 170.6
[M+NH4]+ 287.15362 171.3
[M+K]+ 308.08296 167.0
[M-H]- 268.11252 166.6
[M+Na-2H]- 290.09447 167.6
[M]+ 269.11925 166.1
[M]- 269.12035 166.1
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.