CID 162345266

Ns00132967

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₂

SMILES

CC1=C(C=C(C=C1)O)NC(=NC2=C(C=CC(=C2)O)C)N

InChI

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

InChIKey

KRWZFLDTBXLARY-UHFFFAOYSA-N

Compound name

1,2-bis(5-hydroxy-2-methylphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.13208 Da
Monoisotopic Mass: 2.4
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]+	272.139356	163.1
[M+Na]+	294.121298	170.0
[M-H]-	270.124804	168.9
[M+NH4]+	289.165903	178.0
[M+K]+	310.095238	166.0
[M+H-H2O]+	254.129340	155.3
[M+HCOO]-	316.130281	187.6
[M+CH3COO]-	330.145931	205.1
[M+Na-2H]-	292.106746	166.1
[M]+	271.13153142	160.5
[M]-	271.13262858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.