CID 688258

3-(diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCN(CC)C=CC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C13H17NO2/c1-3-14(4-2)10-9-13(16)11-7-5-6-8-12(11)15/h5-10,15H,3-4H2,1-2H3
InChIKey
QXYMFGIARLJINM-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

219.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 150.9
[M+Na]+ 242.115148 156.7
[M-H]- 218.118654 154.2
[M+NH4]+ 237.159753 169.0
[M+K]+ 258.089088 154.6
[M+H-H2O]+ 202.123190 144.3
[M+HCOO]- 264.124131 174.0
[M+CH3COO]- 278.139781 192.7
[M+Na-2H]- 240.100596 154.0
[M]+ 219.12538142 152.0
[M]- 219.12647858 152.0
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

patents stripe