CID 71767208

Tasipimidine

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

COC1=CC=CC2=C1CCOC2C3=NCCN3

InChI

InChI=1S/C13H16N2O2/c1-16-11-4-2-3-10-9(11)5-8-17-12(10)13-14-6-7-15-13/h2-4,12H,5-8H2,1H3,(H,14,15)

InChIKey

GHIKYGQWBRHEGU-UHFFFAOYSA-N

Compound name

2-(5-methoxy-3,4-dihydro-1H-isochromen-1-yl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 71
Patents: 232.12119 Da
Monoisotopic Mass: 0.8
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]+	233.12847	152.5
[M+Na]+	255.11041	165.1
[M+NH4]+	250.15501	160.9
[M+K]+	271.08435	160.6
[M-H]-	231.11391	156.6
[M+Na-2H]-	253.09586	157.9
[M]+	232.12064	155.4
[M]-	232.12174	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe