CID 98425

L-cysteinyl-glycine, (s-trityl)-

Structural Information

Molecular Formula
C24H24N2O3S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)NCC(=O)O)N
InChI
InChI=1S/C24H24N2O3S/c25-21(23(29)26-16-22(27)28)17-30-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,29)(H,27,28)
InChIKey
CQWAYRTZXZSUEP-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-tritylsulfanylpropanoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.15076 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.158036 199.3
[M+Na]+ 443.139978 200.3
[M-H]- 419.143484 205.4
[M+NH4]+ 438.184583 206.6
[M+K]+ 459.113918 194.5
[M+H-H2O]+ 403.148020 189.7
[M+HCOO]- 465.148961 212.8
[M+CH3COO]- 479.164611 225.3
[M+Na-2H]- 441.125426 200.3
[M]+ 420.15021142 197.5
[M]- 420.15130858 197.5
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.