CID 293475

Mls003106519

Structural Information

Molecular Formula

C₁₅H₁₃N₃O

SMILES

C1COC(=N1)C2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C15H13N3O/c1-2-4-13(5-3-1)17-18-14-8-6-12(7-9-14)15-16-10-11-19-15/h1-9H,10-11H2

InChIKey

KNELIOTUPCHJCS-UHFFFAOYSA-N

Compound name

[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-phenyldiazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 251.10587 Da
Monoisotopic Mass: 3.2
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]+	252.11315	154.5
[M+Na]+	274.09509	161.5
[M-H]-	250.09859	166.2
[M+NH4]+	269.13969	170.8
[M+K]+	290.06903	159.4
[M+H-H2O]+	234.10313	144.8
[M+HCOO]-	296.10407	182.5
[M+CH3COO]-	310.11972	167.9
[M+Na-2H]-	272.08054	162.6
[M]+	251.10532	155.2
[M]-	251.10642	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.