CID 3073381

13-alpha-hydroxymatrine

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

C1CC2CN3C(CC(CC3=O)O)C4C2N(C1)CCC4

InChI

InChI=1S/C15H24N2O2/c18-11-7-13-12-4-2-6-16-5-1-3-10(15(12)16)9-17(13)14(19)8-11/h10-13,15,18H,1-9H2

InChIKey

YYLKMMPLIIOMLQ-UHFFFAOYSA-N

Compound name

4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 264.18378 Da
Monoisotopic Mass: 0.6
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]+	265.19106	163.2
[M+Na]+	287.17300	165.9
[M-H]-	263.17650	161.9
[M+NH4]+	282.21760	179.0
[M+K]+	303.14694	161.3
[M+H-H2O]+	247.18104	154.2
[M+HCOO]-	309.18198	168.0
[M+CH3COO]-	323.19763	170.4
[M+Na-2H]-	285.15845	165.1
[M]+	264.18323	152.9
[M]-	264.18433	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe