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]+ 396.18660 195.1
[M+Na]+ 418.16854 197.8
[M-H]- 394.17204 205.6
[M+NH4]+ 413.21314 207.6
[M+K]+ 434.14248 188.6
[M+H-H2O]+ 378.17658 189.1
[M+HCOO]- 440.17752 212.0
[M+CH3COO]- 454.19317 218.4
[M+Na-2H]- 416.15399 200.0
[M]+ 395.17877 196.1
[M]- 395.17987 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.