CID 204321

16155-55-8

Structural Information

Molecular Formula

C₁₅H₁₃NO

SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C15H13NO/c1-10-7-8-12(9-11(10)2)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3

InChIKey

VTKOFHKKQRPKTG-UHFFFAOYSA-N

Compound name

2-(3,4-dimethylphenyl)-1,3-benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.09972 Da
Monoisotopic Mass: 4.2
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]+	224.10700	147.5
[M+Na]+	246.08894	165.1
[M+NH4]+	241.13354	157.6
[M+K]+	262.06288	158.3
[M-H]-	222.09244	154.2
[M+Na-2H]-	244.07439	157.3
[M]+	223.09917	152.3
[M]-	223.10027	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.