CID 71684

Pipratecol

Structural Information

Molecular Formula
C19H24N2O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C19H24N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,18,22-24H,8-11,13H2,1H3
InChIKey
QESTYTNSJJTQCI-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

164
Patents

344.1736 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 182.7
[M+Na]+ 367.16282 186.8
[M-H]- 343.16632 185.1
[M+NH4]+ 362.20742 190.6
[M+K]+ 383.13676 181.9
[M+H-H2O]+ 327.17086 172.6
[M+HCOO]- 389.17180 194.8
[M+CH3COO]- 403.18745 206.3
[M+Na-2H]- 365.14827 182.4
[M]+ 344.17305 178.7
[M]- 344.17415 178.7
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.