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]+ 270.127076 165.5
[M+Na]+ 292.109018 170.0
[M-H]- 268.112524 171.7
[M+NH4]+ 287.153623 184.3
[M+K]+ 308.082958 170.0
[M+H-H2O]+ 252.117060 157.7
[M+HCOO]- 314.118001 186.7
[M+CH3COO]- 328.133651 209.7
[M+Na-2H]- 290.094466 163.7
[M]+ 269.11925142 169.9
[M]- 269.12034858 169.9
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.