CID 98425

(s-trityl)-l-cysteinyl-glycine

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 198.9
[M+Na]+ 443.13998 208.8
[M+NH4]+ 438.18458 204.8
[M+K]+ 459.11392 201.0
[M-H]- 419.14348 204.1
[M+Na-2H]- 441.12543 207.7
[M]+ 420.15021 202.0
[M]- 420.15131 202.0
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.