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 194.4
[M+Na]+ 389.21996 196.4
[M-H]- 365.22346 202.3
[M+NH4]+ 384.26456 206.7
[M+K]+ 405.19390 194.2
[M+H-H2O]+ 349.22800 184.3
[M+HCOO]- 411.22894 217.5
[M+CH3COO]- 425.24459 230.1
[M+Na-2H]- 387.20541 193.7
[M]+ 366.23019 198.1
[M]- 366.23129 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.