CID 456783

2oh4nphcon2 me2

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CC(=NNC(=O)C1=C(C=C(C=C1)N)O)C

InChI

InChI=1S/C10H13N3O2/c1-6(2)12-13-10(15)8-4-3-7(11)5-9(8)14/h3-5,14H,11H2,1-2H3,(H,13,15)

InChIKey

SASUEBBJPFNJHP-UHFFFAOYSA-N

Compound name

4-amino-2-hydroxy-N-(propan-2-ylideneamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: 1.3
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]+	208.108046	145.8
[M+Na]+	230.089988	152.1
[M-H]-	206.093494	149.4
[M+NH4]+	225.134593	163.7
[M+K]+	246.063928	150.5
[M+H-H2O]+	190.098030	139.0
[M+HCOO]-	252.098971	171.2
[M+CH3COO]-	266.114621	194.0
[M+Na-2H]-	228.075436	149.2
[M]+	207.10022142	143.5
[M]-	207.10131858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.