CID 5477723

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

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC1=CC=C(C=C1)/C=C/C(=O)C(CN(C)C)CN(C)C
InChI
InChI=1S/C17H26N2O/c1-14-6-8-15(9-7-14)10-11-17(20)16(12-18(2)3)13-19(4)5/h6-11,16H,12-13H2,1-5H3/b11-10+
InChIKey
LZUVERCBODYSPA-ZHACJKMWSA-N
Compound name
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methylphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 170.3
[M+Na]+ 297.19372 174.0
[M-H]- 273.19722 175.9
[M+NH4]+ 292.23832 187.2
[M+K]+ 313.16766 173.2
[M+H-H2O]+ 257.20176 162.4
[M+HCOO]- 319.20270 193.9
[M+CH3COO]- 333.21835 214.7
[M+Na-2H]- 295.17917 170.1
[M]+ 274.20395 173.3
[M]- 274.20505 173.3
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.