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 205.3
[M+Na]+ 458.22027 207.7
[M-H]- 434.22377 213.5
[M+NH4]+ 453.26487 212.0
[M+K]+ 474.19421 199.0
[M+H-H2O]+ 418.22831 192.8
[M+HCOO]- 480.22925 221.0
[M+CH3COO]- 494.24490 211.5
[M+Na-2H]- 456.20572 205.9
[M]+ 435.23050 200.7
[M]- 435.23160 200.7
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.