CID 58487

Benzyhydrylguanidine hydrochloride hydrate

Structural Information

Molecular Formula

C₁₄H₁₅N₃

SMILES

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

InChI

InChI=1S/C14H15N3/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H4,15,16,17)

InChIKey

BODVXTIKMUAJII-UHFFFAOYSA-N

Compound name

2-benzhydrylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 225.1266 Da
Monoisotopic Mass: 2.0
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]+	226.13388	153.3
[M+Na]+	248.11582	164.7
[M+NH4]+	243.16042	161.9
[M+K]+	264.08976	157.8
[M-H]-	224.11932	159.6
[M+Na-2H]-	246.10127	162.8
[M]+	225.12605	156.5
[M]-	225.12715	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe