CID 35315

Brn 4020479

Structural Information

Molecular Formula
C29H34N2O
SMILES
C1CN(CC1CN(CCC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C29H34N2O/c32-29(22-27-14-8-3-9-15-27)31(21-18-26-12-6-2-7-13-26)24-28-17-20-30(23-28)19-16-25-10-4-1-5-11-25/h1-15,28H,16-24H2
InChIKey
NIJQFRFIDXPAME-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-phenylethyl)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.26712 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.27440 209.0
[M+Na]+ 449.25634 209.1
[M-H]- 425.25984 219.1
[M+NH4]+ 444.30094 217.6
[M+K]+ 465.23028 202.8
[M+H-H2O]+ 409.26438 196.3
[M+HCOO]- 471.26532 228.0
[M+CH3COO]- 485.28097 215.7
[M+Na-2H]- 447.24179 206.6
[M]+ 426.26657 206.8
[M]- 426.26767 206.8
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.