CID 22648

N,n'-bis(2-methoxyphenyl)guanidine

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₂

SMILES

COC1=CC=CC=C1NC(=NC2=CC=CC=C2OC)N

InChI

InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)

InChIKey

SUWFNJNGGZUBSG-UHFFFAOYSA-N

Compound name

1,2-bis(2-methoxyphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 271.13208 Da
Monoisotopic Mass: 2.3
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]+	272.13936	163.7
[M+Na]+	294.12130	175.4
[M+NH4]+	289.16590	171.3
[M+K]+	310.09524	168.6
[M-H]-	270.12480	169.5
[M+Na-2H]-	292.10675	172.4
[M]+	271.13153	166.8
[M]-	271.13263	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe