CID 5141817

3-(tritylamino)propanoic 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

7
Patents

331.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 182.4
[M+Na]+ 354.14645 196.2
[M+NH4]+ 349.19105 190.3
[M+K]+ 370.12039 187.7
[M-H]- 330.14995 188.8
[M+Na-2H]- 352.13190 193.8
[M]+ 331.15668 186.3
[M]- 331.15778 186.3
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