CID 3050697

Ethanone, 2-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C15H21NO4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CN2CCCC2)OC
InChI
InChI=1S/C15H21NO4/c1-18-11-8-13(19-2)15(14(9-11)20-3)12(17)10-16-6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKey
QOIANSFLCLBDRM-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 164.0
[M+Na]+ 302.136278 170.4
[M-H]- 278.139784 169.2
[M+NH4]+ 297.180883 180.4
[M+K]+ 318.110218 168.9
[M+H-H2O]+ 262.144320 156.3
[M+HCOO]- 324.145261 184.6
[M+CH3COO]- 338.160911 199.9
[M+Na-2H]- 300.121726 163.9
[M]+ 279.14651142 167.4
[M]- 279.14760858 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.