CID 1549158

Ambazone

Structural Information

Molecular Formula

C₈H₁₁N₇S

SMILES

C1=CC(=CC=C1NN=C(N)N)N=NC(=S)N

InChI

InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12H,(H2,11,16)(H4,9,10,14)

InChIKey

ANZIOUQAFBXNHU-UHFFFAOYSA-N

Compound name

[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 33
References: 1585
Patents: 237.07967 Da
Monoisotopic Mass: 0.7
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]+	238.08695	150.3
[M+Na]+	260.06889	155.0
[M+NH4]+	255.11349	156.5
[M+K]+	276.04283	149.7
[M-H]-	236.07239	155.0
[M+Na-2H]-	258.05434	155.5
[M]+	237.07912	151.9
[M]-	237.08022	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe