CID 262774

N-tritylglycine ethyl ester

Structural Information

Molecular Formula
C23H23NO2
SMILES
CCOC(=O)CNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H23NO2/c1-2-26-22(25)18-24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,24H,2,18H2,1H3
InChIKey
CAFYNMFIEFNYRA-UHFFFAOYSA-N
Compound name
ethyl 2-(tritylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

345.17288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18016 184.4
[M+Na]+ 368.16210 187.7
[M-H]- 344.16560 192.8
[M+NH4]+ 363.20670 195.9
[M+K]+ 384.13604 182.6
[M+H-H2O]+ 328.17014 174.5
[M+HCOO]- 390.17108 205.9
[M+CH3COO]- 404.18673 213.6
[M+Na-2H]- 366.14755 190.0
[M]+ 345.17233 183.9
[M]- 345.17343 183.9
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

patents stripe