CID 5141817

3-(trityl-amino)-propionic acid

Structural Information

Molecular Formula
C22H21NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCC(=O)O
InChI
InChI=1S/C22H21NO2/c24-21(25)16-17-23-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23H,16-17H2,(H,24,25)
InChIKey
DRBJRRIAZMJBOC-UHFFFAOYSA-N
Compound name
3-(tritylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

331.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.164506 179.2
[M+Na]+ 354.146448 182.4
[M-H]- 330.149954 186.4
[M+NH4]+ 349.191053 190.5
[M+K]+ 370.120388 176.7
[M+H-H2O]+ 314.154490 169.8
[M+HCOO]- 376.155431 199.5
[M+CH3COO]- 390.171081 208.9
[M+Na-2H]- 352.131896 185.0
[M]+ 331.15668142 176.6
[M]- 331.15777858 176.6
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