CID 213618

Brn 0501335

Structural Information

Molecular Formula
C29H29N3O
SMILES
C1CN(CC=C1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C29H29N3O/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/h1-14,16,21,28,30H,15,17-20H2,(H,31,33)
InChIKey
OGRFZYIEYNCACT-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.23105 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23833 210.3
[M+Na]+ 458.22027 225.2
[M+NH4]+ 453.26487 217.9
[M+K]+ 474.19421 216.8
[M-H]- 434.22377 218.6
[M+Na-2H]- 456.20572 221.0
[M]+ 435.23050 214.8
[M]- 435.23160 214.8
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

No patent data available for this compound.