CID 12907

(diphenylmethoxy)guanidine nitrate

Structural Information

Molecular Formula

C₁₄H₁₅N₃O

SMILES

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

InChI

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

InChIKey

ZGLBAWURMICCEQ-UHFFFAOYSA-N

Compound name

2-benzhydryloxyguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	242.128776	154.2
[M+Na]+	264.110718	158.4
[M-H]-	240.114224	160.8
[M+NH4]+	259.155323	170.1
[M+K]+	280.084658	155.6
[M+H-H2O]+	224.118760	145.6
[M+HCOO]-	286.119701	180.3
[M+CH3COO]-	300.135351	200.5
[M+Na-2H]-	262.096166	159.5
[M]+	241.12095142	150.4
[M]-	241.12204858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe