CID 6435622

100482-65-3

Structural Information

Molecular Formula
C20H21NO
SMILES
C1CCN(C1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO/c22-19(13-16-21-14-7-8-15-21)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,16,20H,7-8,14-15H2/b16-13+
InChIKey
FYJPXFPGXDTHNQ-DTQAZKPQSA-N
Compound name
(E)-1,1-diphenyl-4-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.169596 171.9
[M+Na]+ 314.151538 174.9
[M-H]- 290.155044 178.8
[M+NH4]+ 309.196143 186.3
[M+K]+ 330.125478 169.7
[M+H-H2O]+ 274.159580 162.3
[M+HCOO]- 336.160521 190.7
[M+CH3COO]- 350.176171 181.5
[M+Na-2H]- 312.136986 171.8
[M]+ 291.16177142 167.4
[M]- 291.16286858 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.