CID 5477763

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

Structural Information

Molecular Formula
C19H30N2O4
SMILES
CN(C)CC(CN(C)C)C(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C19H30N2O4/c1-20(2)12-15(13-21(3)4)16(22)9-8-14-10-17(23-5)19(25-7)18(11-14)24-6/h8-11,15H,12-13H2,1-7H3/b9-8+
InChIKey
FRHCUPRMFQUAAT-CMDGGOBGSA-N
Compound name
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.22055 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.227826 186.9
[M+Na]+ 373.209768 191.1
[M-H]- 349.213274 192.6
[M+NH4]+ 368.254373 201.0
[M+K]+ 389.183708 191.9
[M+H-H2O]+ 333.217810 178.5
[M+HCOO]- 395.218751 210.3
[M+CH3COO]- 409.234401 229.2
[M+Na-2H]- 371.195216 184.5
[M]+ 350.22000142 195.6
[M]- 350.22109858 195.6
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.