CID 211769

23564-94-5

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₃

SMILES

COC1=CC(=CC(=C1OC)OC)N=C(C2=CN=CC=C2)N

InChI

InChI=1S/C15H17N3O3/c1-19-12-7-11(8-13(20-2)14(12)21-3)18-15(16)10-5-4-6-17-9-10/h4-9H,1-3H3,(H2,16,18)

InChIKey

TXHHBTIHUYSISJ-UHFFFAOYSA-N

Compound name

N'-(3,4,5-trimethoxyphenyl)pyridine-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.12698 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]+	288.134256	165.8
[M+Na]+	310.116198	173.2
[M-H]-	286.119704	172.5
[M+NH4]+	305.160803	180.0
[M+K]+	326.090138	171.1
[M+H-H2O]+	270.124240	156.3
[M+HCOO]-	332.125181	191.2
[M+CH3COO]-	346.140831	208.6
[M+Na-2H]-	308.101646	170.3
[M]+	287.12643142	169.2
[M]-	287.12752858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.