CID 262764

2-(tritylthio)ethanamine

Structural Information

Molecular Formula
C21H21NS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN
InChI
InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2
InChIKey
XZOWICPSVWHCTC-UHFFFAOYSA-N
Compound name
2-tritylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

454
Patents

319.13947 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14675 176.6
[M+Na]+ 342.12869 191.7
[M+NH4]+ 337.17329 186.8
[M+K]+ 358.10263 179.7
[M-H]- 318.13219 184.9
[M+Na-2H]- 340.11414 189.2
[M]+ 319.13892 182.0
[M]- 319.14002 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe