CID 16101

Brn 1685264

Structural Information

Molecular Formula
C20H21NO
SMILES
C1CCN(C1)CC(=O)C=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO/c22-19(16-21-13-7-8-14-21)15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2
InChIKey
YRSXLEZACFVLMW-UHFFFAOYSA-N
Compound name
4,4-diphenyl-1-pyrrolidin-1-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 171.9
[M+Na]+ 314.15154 174.9
[M-H]- 290.15504 178.8
[M+NH4]+ 309.19614 186.3
[M+K]+ 330.12548 169.7
[M+H-H2O]+ 274.15958 162.3
[M+HCOO]- 336.16052 190.7
[M+CH3COO]- 350.17617 181.5
[M+Na-2H]- 312.13699 171.8
[M]+ 291.16177 167.4
[M]- 291.16287 167.4
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.