CID 16750040

N-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1h-indol-3-yl)acetamide

Structural Information

Molecular Formula
C26H26N2O2
SMILES
C[C@H](CCC1=CC=C(C=C1)O)NC(=O)CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1
InChIKey
APLJSSOXDWUNGV-GOSISDBHSA-N
Compound name
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-(2-phenyl-1H-indol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

398.19943 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20671 197.8
[M+Na]+ 421.18865 202.9
[M-H]- 397.19215 204.5
[M+NH4]+ 416.23325 208.0
[M+K]+ 437.16259 195.2
[M+H-H2O]+ 381.19669 188.0
[M+HCOO]- 443.19763 216.5
[M+CH3COO]- 457.21328 206.0
[M+Na-2H]- 419.17410 198.5
[M]+ 398.19888 197.4
[M]- 398.19998 197.4
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