CID 76044

S-trityl-l-cysteine

Structural Information

Molecular Formula
C22H21NO2S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
InChIKey
DLMYFMLKORXJPO-FQEVSTJZSA-N
Compound name
(2R)-2-amino-3-tritylsulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

93
References

4181
Patents

363.1293 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13658 185.6
[M+Na]+ 386.11852 198.1
[M+NH4]+ 381.16312 193.4
[M+K]+ 402.09246 188.9
[M-H]- 362.12202 191.7
[M+Na-2H]- 384.10397 195.9
[M]+ 363.12875 189.7
[M]- 363.12985 189.7
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