CID 3008886

205935-12-2

Structural Information

Molecular Formula

C₁₄H₁₅N₃O

SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)N=C(N)N

InChI

InChI=1S/C14H15N3O/c15-14(16)17-12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H4,15,16,17)

InChIKey

FDLXZFWWHUOYOB-UHFFFAOYSA-N

Compound name

2-(3-phenylmethoxyphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 59
Patents: 241.1215 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]+	242.12878	153.8
[M+Na]+	264.11072	159.3
[M-H]-	240.11422	160.8
[M+NH4]+	259.15532	170.2
[M+K]+	280.08466	155.9
[M+H-H2O]+	224.11876	145.3
[M+HCOO]-	286.11970	181.0
[M+CH3COO]-	300.13535	200.8
[M+Na-2H]-	262.09617	159.6
[M]+	241.12095	151.1
[M]-	241.12205	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe