CID 33285

Fc 217

Structural Information

Molecular Formula
C19H27N2O2S
SMILES
CC[N+](C)(CC)CCNC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O
InChI
InChI=1S/C19H26N2O2S/c1-4-21(3,5-2)14-13-20-18(22)19(23,17-12-9-15-24-17)16-10-7-6-8-11-16/h6-12,15,23H,4-5,13-14H2,1-3H3/p+1
InChIKey
WYUPSSWFQGDCLG-UHFFFAOYSA-O
Compound name
diethyl-[2-[(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)amino]ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.17932 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18660 181.0
[M+Na]+ 370.16854 190.9
[M+NH4]+ 365.21314 189.1
[M+K]+ 386.14248 185.8
[M-H]- 346.17204 185.7
[M+Na-2H]- 368.15399 188.3
[M]+ 347.17877 184.5
[M]- 347.17987 184.5
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.