CID 44432703

H-cys(trt)-nh2

Structural Information

Molecular Formula
C22H22N2OS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)N)N
InChI
InChI=1S/C22H22N2OS/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,(H2,24,25)/t20-/m0/s1
InChIKey
OHWBGKONMFYEKL-FQEVSTJZSA-N
Compound name
(2R)-2-amino-3-tritylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

700
Patents

362.1453 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15258 186.0
[M+Na]+ 385.13452 198.0
[M+NH4]+ 380.17912 194.1
[M+K]+ 401.10846 188.6
[M-H]- 361.13802 193.1
[M+Na-2H]- 383.11997 196.6
[M]+ 362.14475 190.3
[M]- 362.14585 190.3
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