CID 3846348

50785-59-6

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NN=CC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2/c1-12-7-9-14(10-8-12)18-15(20)16(21)19-17-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)(H,19,21)

InChIKey

YGUBIELLRXOKIH-UHFFFAOYSA-N

Compound name

N'-(benzylideneamino)-N-(4-methylphenyl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.11642 Da
Monoisotopic Mass: 2.8
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]+	282.123696	164.9
[M+Na]+	304.105638	169.8
[M-H]-	280.109144	172.7
[M+NH4]+	299.150243	180.0
[M+K]+	320.079578	166.7
[M+H-H2O]+	264.113680	155.9
[M+HCOO]-	326.114621	192.2
[M+CH3COO]-	340.130271	207.4
[M+Na-2H]-	302.091086	170.3
[M]+	281.11587142	163.9
[M]-	281.11696858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.