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]+ 367.23802 193.0
[M+Na]+ 389.21996 203.6
[M+NH4]+ 384.26456 199.5
[M+K]+ 405.19390 196.3
[M-H]- 365.22346 197.9
[M+Na-2H]- 387.20541 200.1
[M]+ 366.23019 195.7
[M]- 366.23129 195.7
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.