CID 7408309

132388-58-0

Structural Information

Molecular Formula
C23H22N2O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m0/s1
InChIKey
BRRPJQYCERAMFI-FQEVSTJZSA-N
Compound name
(2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

374.16306 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17034 188.6
[M+Na]+ 397.15228 189.9
[M-H]- 373.15578 195.2
[M+NH4]+ 392.19688 197.2
[M+K]+ 413.12622 185.4
[M+H-H2O]+ 357.16032 179.0
[M+HCOO]- 419.16126 207.4
[M+CH3COO]- 433.17691 219.0
[M+Na-2H]- 395.13773 191.5
[M]+ 374.16251 184.2
[M]- 374.16361 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe