CID 5347710

303095-42-3

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₃

SMILES

CC1=NN=C(N1/N=C/C2=C(C=C(C=C2OC)OC)OC)C

InChI

InChI=1S/C14H18N4O3/c1-9-16-17-10(2)18(9)15-8-12-13(20-4)6-11(19-3)7-14(12)21-5/h6-8H,1-5H3/b15-8+

InChIKey

RYWAOOATKNOZOU-OVCLIPMQSA-N

Compound name

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,4,6-trimethoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 290.13788 Da
Monoisotopic Mass: 1.9
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]+	291.145156	166.3
[M+Na]+	313.127098	177.0
[M-H]-	289.130604	171.7
[M+NH4]+	308.171703	180.8
[M+K]+	329.101038	174.6
[M+H-H2O]+	273.135140	156.8
[M+HCOO]-	335.136081	190.7
[M+CH3COO]-	349.151731	208.1
[M+Na-2H]-	311.112546	169.1
[M]+	290.13733142	174.2
[M]-	290.13842858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.