CID 33356

Fc 214

Structural Information

Molecular Formula
C23H27N2O2S
SMILES
C[N+](C)(C)CCN(C1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C23H27N2O2S/c1-25(2,3)17-16-24(20-13-8-5-9-14-20)22(26)23(27,21-15-10-18-28-21)19-11-6-4-7-12-19/h4-15,18,27H,16-17H2,1-3H3/q+1
InChIKey
YXZKAHNDWFTFKZ-UHFFFAOYSA-N
Compound name
2-(N-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)anilino)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17932 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.186596 195.1
[M+Na]+ 418.168538 197.8
[M-H]- 394.172044 205.6
[M+NH4]+ 413.213143 207.6
[M+K]+ 434.142478 188.6
[M+H-H2O]+ 378.176580 189.1
[M+HCOO]- 440.177521 212.0
[M+CH3COO]- 454.193171 218.4
[M+Na-2H]- 416.153986 200.0
[M]+ 395.17877142 196.1
[M]- 395.17986858 196.1
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.