CID 3076062

Brn 4198656

Structural Information

Molecular Formula
C19H25NO2
SMILES
CN(C)CCCC(C1=CC=CC=C1)C2=C(C=CC(=C2)OC)O
InChI
InChI=1S/C19H25NO2/c1-20(2)13-7-10-17(15-8-5-4-6-9-15)18-14-16(22-3)11-12-19(18)21/h4-6,8-9,11-12,14,17,21H,7,10,13H2,1-3H3
InChIKey
KQHGIFKNLHNWBV-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)-1-phenylbutyl]-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.195816 173.8
[M+Na]+ 322.177758 178.5
[M-H]- 298.181264 180.0
[M+NH4]+ 317.222363 188.5
[M+K]+ 338.151698 175.6
[M+H-H2O]+ 282.185800 165.3
[M+HCOO]- 344.186741 195.9
[M+CH3COO]- 358.202391 209.9
[M+Na-2H]- 320.163206 175.6
[M]+ 299.18799142 176.3
[M]- 299.18908858 176.3
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.