CID 213294

Fc 109

Structural Information

Molecular Formula
C18H25N2O2S2
SMILES
CN(CC[N+]1(CCCC1)C)C(=O)C(C2=CC=CS2)(C3=CC=CS3)O
InChI
InChI=1S/C18H25N2O2S2/c1-19(9-12-20(2)10-3-4-11-20)17(21)18(22,15-7-5-13-23-15)16-8-6-14-24-16/h5-8,13-14,22H,3-4,9-12H2,1-2H3/q+1
InChIKey
WHXXCNIVMOQBHS-UHFFFAOYSA-N
Compound name
2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2,2-dithiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.13574 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14302 186.3
[M+Na]+ 388.12496 192.1
[M-H]- 364.12846 195.4
[M+NH4]+ 383.16956 204.9
[M+K]+ 404.09890 184.0
[M+H-H2O]+ 348.13300 183.7
[M+HCOO]- 410.13394 198.2
[M+CH3COO]- 424.14959 203.3
[M+Na-2H]- 386.11041 186.2
[M]+ 365.13519 188.0
[M]- 365.13629 188.0
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.