CID 5477722

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

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CN(C)CC(CN(C)C)C(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C17H26N2O2/c1-18(2)12-15(13-19(3)4)17(20)11-8-14-6-9-16(21-5)10-7-14/h6-11,15H,12-13H2,1-5H3/b11-8+
InChIKey
ABAQDPTUBKTTAD-DHZHZOJOSA-N
Compound name
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.4
[M+Na]+ 313.18865 181.3
[M+NH4]+ 308.23325 178.7
[M+K]+ 329.16259 175.9
[M-H]- 289.19215 174.7
[M+Na-2H]- 311.17410 176.8
[M]+ 290.19888 174.0
[M]- 290.19998 174.0
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.