CID 7552

Phedrazine

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

COC1=CC(=CC(=C1OC)OC)CC2=NCCN2

InChI

InChI=1S/C13H18N2O3/c1-16-10-6-9(8-12-14-4-5-15-12)7-11(17-2)13(10)18-3/h6-7H,4-5,8H2,1-3H3,(H,14,15)

InChIKey

XJNCXQWJMJWBEJ-UHFFFAOYSA-N

Compound name

2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 250.13174 Da
Monoisotopic Mass: 0.7
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]+	251.139016	156.4
[M+Na]+	273.120958	164.4
[M-H]-	249.124464	159.4
[M+NH4]+	268.165563	172.3
[M+K]+	289.094898	161.6
[M+H-H2O]+	233.129000	148.2
[M+HCOO]-	295.129941	176.9
[M+CH3COO]-	309.145591	191.6
[M+Na-2H]-	271.106406	158.9
[M]+	250.13119142	159.1
[M]-	250.13228858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe