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]+ 280.15434 164.0
[M+Na]+ 302.13628 170.4
[M-H]- 278.13978 169.2
[M+NH4]+ 297.18088 180.4
[M+K]+ 318.11022 168.9
[M+H-H2O]+ 262.14432 156.3
[M+HCOO]- 324.14526 184.6
[M+CH3COO]- 338.16091 199.9
[M+Na-2H]- 300.12173 163.9
[M]+ 279.14651 167.4
[M]- 279.14761 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.