CID 135641993

478519-38-9

Structural Information

Molecular Formula

C₁₇H₁₇N₅O₂

SMILES

C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=CC=C3O

InChI

InChI=1S/C17H17N5O2/c1-12(13-6-2-5-9-16(13)23)18-20-17(24)10-11-22-15-8-4-3-7-14(15)19-21-22/h2-9,23H,10-11H2,1H3,(H,20,24)/b18-12+

InChIKey

BNRJUQRSAPQSRB-LDADJPATSA-N

Compound name

3-(benzotriazol-1-yl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.1382 Da
Monoisotopic Mass: 2.2
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]+	324.145476	174.0
[M+Na]+	346.127418	181.4
[M-H]-	322.130924	178.4
[M+NH4]+	341.172023	186.0
[M+K]+	362.101358	176.6
[M+H-H2O]+	306.135460	163.7
[M+HCOO]-	368.136401	196.3
[M+CH3COO]-	382.152051	211.6
[M+Na-2H]-	344.112866	179.6
[M]+	323.13765142	176.1
[M]-	323.13874858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.