CID 440587

6-hydroxyprotopine

Structural Information

Molecular Formula

C₂₀H₁₉NO₆

SMILES

CN1CC2=C(CC(=O)C3=CC4=C(C=C3CC1O)OCO4)C=CC5=C2OCO5

InChI

InChI=1S/C20H19NO6/c1-21-8-14-11(2-3-16-20(14)27-10-24-16)4-15(22)13-7-18-17(25-9-26-18)5-12(13)6-19(21)23/h2-3,5,7,19,23H,4,6,8-10H2,1H3

InChIKey

QRZCXUNTBXMAPR-UHFFFAOYSA-N

Compound name

14-hydroxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 79
Patents: 369.12125 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	370.128526	177.4
[M+Na]+	392.110468	186.2
[M-H]-	368.113974	182.7
[M+NH4]+	387.155073	187.5
[M+K]+	408.084408	187.2
[M+H-H2O]+	352.118510	176.5
[M+HCOO]-	414.119451	187.1
[M+CH3COO]-	428.135101	187.4
[M+Na-2H]-	390.095916	178.8
[M]+	369.12070142	178.9
[M]-	369.12179858	178.9

Literature stripe

literature stripe

Patent stripe

patents stripe