CID 3007922

Schembl14599571

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₂

SMILES

COC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C18H17N3O2/c1-22-15-8-4-13(5-9-15)17-11-10-16(23-17)12-2-6-14(7-3-12)21-18(19)20/h2-11H,1H3,(H4,19,20,21)

InChIKey

ZOAWQFDCMYAGTF-UHFFFAOYSA-N

Compound name

2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 307.13208 Da
Monoisotopic Mass: 2.8
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]+	308.13936	172.5
[M+Na]+	330.12130	179.2
[M-H]-	306.12480	184.0
[M+NH4]+	325.16590	186.8
[M+K]+	346.09524	176.1
[M+H-H2O]+	290.12934	163.5
[M+HCOO]-	352.13028	199.6
[M+CH3COO]-	366.14593	213.3
[M+Na-2H]-	328.10675	175.5
[M]+	307.13153	172.3
[M]-	307.13263	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe