CID 147102

Chembl2218888

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC1=C(C=C(C=C1)C(C(C)NCCCC2=CC=CC=C2)O)O
InChI
InChI=1S/C19H25NO2/c1-14-10-11-17(13-18(14)21)19(22)15(2)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19-22H,6,9,12H2,1-2H3
InChIKey
AUTKZDGLQYYXLZ-UHFFFAOYSA-N
Compound name
5-[1-hydroxy-2-(3-phenylpropylamino)propyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

299.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 174.0
[M+Na]+ 322.17776 177.8
[M-H]- 298.18126 177.4
[M+NH4]+ 317.22236 187.2
[M+K]+ 338.15170 173.2
[M+H-H2O]+ 282.18580 166.1
[M+HCOO]- 344.18674 193.1
[M+CH3COO]- 358.20239 205.1
[M+Na-2H]- 320.16321 174.9
[M]+ 299.18799 172.8
[M]- 299.18909 172.8
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