CID 5477721

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

Structural Information

Molecular Formula
C16H24N2O
SMILES
CN(C)CC(CN(C)C)C(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C16H24N2O/c1-17(2)12-15(13-18(3)4)16(19)11-10-14-8-6-5-7-9-14/h5-11,15H,12-13H2,1-4H3/b11-10+
InChIKey
LDBAJGGBMPCEDJ-ZHACJKMWSA-N
Compound name
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-phenylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 166.5
[M+Na]+ 283.17809 169.6
[M-H]- 259.18159 171.8
[M+NH4]+ 278.22269 183.6
[M+K]+ 299.15203 169.0
[M+H-H2O]+ 243.18613 158.5
[M+HCOO]- 305.18707 190.3
[M+CH3COO]- 319.20272 210.5
[M+Na-2H]- 281.16354 167.4
[M]+ 260.18832 168.6
[M]- 260.18942 168.6
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.