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]+ 351.22783 186.9
[M+Na]+ 373.20977 191.1
[M-H]- 349.21327 192.6
[M+NH4]+ 368.25437 201.0
[M+K]+ 389.18371 191.9
[M+H-H2O]+ 333.21781 178.5
[M+HCOO]- 395.21875 210.3
[M+CH3COO]- 409.23440 229.2
[M+Na-2H]- 371.19522 184.5
[M]+ 350.22000 195.6
[M]- 350.22110 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.