CID 6867815

384824-94-6

Structural Information

Molecular Formula

C₁₆H₁₅N₅O₂

SMILES

C1=CC=C2C(=C1)N=NN2CCC(=O)N/N=C/C3=CC(=CC=C3)O

InChI

InChI=1S/C16H15N5O2/c22-13-5-3-4-12(10-13)11-17-19-16(23)8-9-21-15-7-2-1-6-14(15)18-20-21/h1-7,10-11,22H,8-9H2,(H,19,23)/b17-11+

InChIKey

FHUSVXGFJDUOBE-GZTJUZNOSA-N

Compound name

3-(benzotriazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.1226 Da
Monoisotopic Mass: 1.9
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]+	310.129876	169.0
[M+Na]+	332.111818	177.2
[M-H]-	308.115324	173.3
[M+NH4]+	327.156423	181.6
[M+K]+	348.085758	172.0
[M+H-H2O]+	292.119860	158.7
[M+HCOO]-	354.120801	192.6
[M+CH3COO]-	368.136451	179.8
[M+Na-2H]-	330.097266	176.2
[M]+	309.12205142	171.3
[M]-	309.12314858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.