CID 5477760

1-penten-3-one, 1-(3,4-dimethoxyphenyl)-5-(dimethylamino)-4-((dimethylamino)methyl)-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CN(C)CC(CN(C)C)C(=O)/C=C/C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C18H28N2O3/c1-19(2)12-15(13-20(3)4)16(21)9-7-14-8-10-17(22-5)18(11-14)23-6/h7-11,15H,12-13H2,1-6H3/b9-7+
InChIKey
WPVFLUXMRUARBD-VQHVLOKHSA-N
Compound name
(E)-1-(3,4-dimethoxyphenyl)-5-(dimethylamino)-4-[(dimethylamino)methyl]pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.2
[M+Na]+ 343.19922 187.8
[M+NH4]+ 338.24382 184.7
[M+K]+ 359.17316 182.9
[M-H]- 319.20272 180.9
[M+Na-2H]- 341.18467 182.7
[M]+ 320.20945 180.5
[M]- 320.21055 180.5
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.