CID 3041332

53924-42-8

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CC(=O)N[C@@H](CC1=C(NC2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C26H24N2O3/c1-17(29)27-23(26(30)31)16-21-20-14-8-9-15-22(20)28-25(21)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23-24,28H,16H2,1H3,(H,27,29)(H,30,31)/t23-/m0/s1
InChIKey
IGNNDGRYXMRYNE-QHCPKHFHSA-N
Compound name
(2S)-2-acetamido-3-(2-benzhydryl-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17868 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 199.3
[M+Na]+ 435.16790 202.7
[M-H]- 411.17140 205.8
[M+NH4]+ 430.21250 208.1
[M+K]+ 451.14184 196.6
[M+H-H2O]+ 395.17594 189.7
[M+HCOO]- 457.17688 216.3
[M+CH3COO]- 471.19253 206.7
[M+Na-2H]- 433.15335 198.7
[M]+ 412.17813 198.0
[M]- 412.17923 198.0
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.