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]+ 277.191056 169.2
[M+Na]+ 299.172998 172.7
[M-H]- 275.176504 173.5
[M+NH4]+ 294.217603 185.2
[M+K]+ 315.146938 171.9
[M+H-H2O]+ 259.181040 161.5
[M+HCOO]- 321.181981 191.8
[M+CH3COO]- 335.197631 211.2
[M+Na-2H]- 297.158446 169.0
[M]+ 276.18323142 171.3
[M]- 276.18432858 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.