CID 3050787

67026-98-6

Structural Information

Molecular Formula

C₁₄H₂₀N₄O

SMILES

CCC(C)(C)N=C(NC#N)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C14H20N4O/c1-5-14(2,3)18-13(16-10-15)17-11-6-8-12(19-4)9-7-11/h6-9H,5H2,1-4H3,(H2,16,17,18)

InChIKey

GCIBZAJSVKHRML-UHFFFAOYSA-N

Compound name

1-cyano-3-(4-methoxyphenyl)-2-(2-methylbutan-2-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.1637 Da
Monoisotopic Mass: 3.1
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]+	261.170976	167.6
[M+Na]+	283.152918	173.9
[M-H]-	259.156424	171.3
[M+NH4]+	278.197523	182.3
[M+K]+	299.126858	172.2
[M+H-H2O]+	243.160960	153.6
[M+HCOO]-	305.161901	188.6
[M+CH3COO]-	319.177551	216.3
[M+Na-2H]-	281.138366	172.0
[M]+	260.16315142	163.0
[M]-	260.16424858	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.