CID 213627

Brn 0501952

Structural Information

Molecular Formula
C29H31N3O
SMILES
C1CN(CCC1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C29H31N3O/c33-29(28(22-9-3-1-4-10-22)23-11-5-2-6-12-23)31-25-16-19-32(20-17-25)18-15-24-21-30-27-14-8-7-13-26(24)27/h1-14,21,25,28,30H,15-20H2,(H,31,33)
InChIKey
YHTRIBBKLPKUKS-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

437.2467 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.25398 205.9
[M+Na]+ 460.23592 207.2
[M-H]- 436.23942 213.6
[M+NH4]+ 455.28052 212.4
[M+K]+ 476.20986 198.7
[M+H-H2O]+ 420.24396 193.3
[M+HCOO]- 482.24490 220.2
[M+CH3COO]- 496.26055 211.6
[M+Na-2H]- 458.22137 205.5
[M]+ 437.24615 199.8
[M]- 437.24725 199.8
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