CID 3019352

8t3ahm43vj

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCN(C)C)O
InChI
InChI=1S/C18H21NO3/c1-13-4-6-14(7-5-13)18(21)16-9-8-15(12-17(16)20)22-11-10-19(2)3/h4-9,12,20H,10-11H2,1-3H3
InChIKey
DYHJXWWENNBNOJ-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 170.7
[M+Na]+ 322.141348 176.9
[M-H]- 298.144854 177.5
[M+NH4]+ 317.185953 185.5
[M+K]+ 338.115288 174.4
[M+H-H2O]+ 282.149390 162.4
[M+HCOO]- 344.150331 193.5
[M+CH3COO]- 358.165981 209.5
[M+Na-2H]- 320.126796 172.4
[M]+ 299.15158142 173.9
[M]- 299.15267858 173.9
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.