CID 5477834

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

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CN(C)CC(CN(C)C)C(=O)/C=C/C1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C23H30N2O2/c1-24(2)16-21(17-25(3)4)23(26)15-12-19-10-13-22(14-11-19)27-18-20-8-6-5-7-9-20/h5-15,21H,16-18H2,1-4H3/b15-12+
InChIKey
ZSEBEHIYUDUVEO-NTCAYCPXSA-N
Compound name
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-phenylmethoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 194.4
[M+Na]+ 389.219958 196.4
[M-H]- 365.223464 202.3
[M+NH4]+ 384.264563 206.7
[M+K]+ 405.193898 194.2
[M+H-H2O]+ 349.228000 184.3
[M+HCOO]- 411.228941 217.5
[M+CH3COO]- 425.244591 230.1
[M+Na-2H]- 387.205406 193.7
[M]+ 366.23019142 198.1
[M]- 366.23128858 198.1
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.