CID 218146

40281-32-1

Structural Information

Molecular Formula
C22H27NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C(CN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO4/c1-25-19-13-17(14-20(26-2)22(19)27-3)21(24)18(15-23-11-7-8-12-23)16-9-5-4-6-10-16/h4-6,9-10,13-14,18H,7-8,11-12,15H2,1-3H3
InChIKey
LSUXRTIPCIHIGQ-UHFFFAOYSA-N
Compound name
2-phenyl-3-pyrrolidin-1-yl-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.194 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 190.1
[M+Na]+ 392.18322 201.7
[M+NH4]+ 387.22782 196.5
[M+K]+ 408.15716 197.0
[M-H]- 368.18672 194.1
[M+Na-2H]- 390.16867 196.5
[M]+ 369.19345 192.7
[M]- 369.19455 192.7
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.