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]+ 421.15804 199.3
[M+Na]+ 443.13998 200.3
[M-H]- 419.14348 205.4
[M+NH4]+ 438.18458 206.6
[M+K]+ 459.11392 194.5
[M+H-H2O]+ 403.14802 189.7
[M+HCOO]- 465.14896 212.8
[M+CH3COO]- 479.16461 225.3
[M+Na-2H]- 441.12543 200.3
[M]+ 420.15021 197.5
[M]- 420.15131 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.