CID 3020002

84604-83-1

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCN(CC)CCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)C)O
InChI
InChI=1S/C20H25NO3/c1-4-21(5-2)12-13-24-17-10-11-18(19(22)14-17)20(23)16-8-6-15(3)7-9-16/h6-11,14,22H,4-5,12-13H2,1-3H3
InChIKey
RDTVBXDHEWPPHT-UHFFFAOYSA-N
Compound name
[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 180.0
[M+Na]+ 350.172658 185.2
[M-H]- 326.176164 186.4
[M+NH4]+ 345.217263 193.6
[M+K]+ 366.146598 182.3
[M+H-H2O]+ 310.180700 171.3
[M+HCOO]- 372.181641 202.1
[M+CH3COO]- 386.197291 215.4
[M+Na-2H]- 348.158106 180.6
[M]+ 327.18289142 183.9
[M]- 327.18398858 183.9
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.