CID 13891860

Anaxagoreine

Structural Information

Molecular Formula

C₁₇H₁₇NO₃

SMILES

COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3O)O

InChI

InChI=1S/C17H17NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-5,8,15-16,18-20H,6-7H2,1H3

InChIKey

QDXOCDFPAQQYKD-UHFFFAOYSA-N

Compound name

1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 283.12085 Da
Monoisotopic Mass: 1.5
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]+	284.128126	163.9
[M+Na]+	306.110068	171.6
[M-H]-	282.113574	164.0
[M+NH4]+	301.154673	179.9
[M+K]+	322.084008	165.6
[M+H-H2O]+	266.118110	156.4
[M+HCOO]-	328.119051	175.2
[M+CH3COO]-	342.134701	173.4
[M+Na-2H]-	304.095516	169.8
[M]+	283.12030142	161.7
[M]-	283.12139858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe