CID 69503224

Schembl5605194

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC(C(C1=CC(=C(C=C1)O)O)O)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO4/c1-14(19(24)15-7-8-17(22)18(23)13-15)21-11-9-20(25,10-12-21)16-5-3-2-4-6-16/h2-8,13-14,19,22-25H,9-12H2,1H3
InChIKey
DBBLAPQLBKZWRF-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

343.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 183.3
[M+Na]+ 366.16756 194.3
[M+NH4]+ 361.21216 190.6
[M+K]+ 382.14150 187.5
[M-H]- 342.17106 186.3
[M+Na-2H]- 364.15301 190.4
[M]+ 343.17779 185.6
[M]- 343.17889 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe