CID 5477724

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

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CN(C)CC(CN(C)C)C(=O)/C=C/C1=CC=C(C=C1)O
InChI
InChI=1S/C16H24N2O2/c1-17(2)11-14(12-18(3)4)16(20)10-7-13-5-8-15(19)9-6-13/h5-10,14,19H,11-12H2,1-4H3/b10-7+
InChIKey
QOUBEALVRUOYCO-JXMROGBWSA-N
Compound name
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-hydroxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 169.2
[M+Na]+ 299.17300 172.7
[M-H]- 275.17650 173.5
[M+NH4]+ 294.21760 185.2
[M+K]+ 315.14694 171.9
[M+H-H2O]+ 259.18104 161.5
[M+HCOO]- 321.18198 191.8
[M+CH3COO]- 335.19763 211.2
[M+Na-2H]- 297.15845 169.0
[M]+ 276.18323 171.3
[M]- 276.18433 171.3
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.