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 183.0
[M+Na]+ 366.16756 186.2
[M-H]- 342.17106 185.5
[M+NH4]+ 361.21216 193.4
[M+K]+ 382.14150 181.7
[M+H-H2O]+ 326.17560 174.7
[M+HCOO]- 388.17654 193.8
[M+CH3COO]- 402.19219 203.5
[M+Na-2H]- 364.15301 182.5
[M]+ 343.17779 176.6
[M]- 343.17889 176.6
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.