CID 12474572

70310-30-4

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

C1C(NC2=CC=CC=C2O1)C3=CC=CC=C3

InChI

InChI=1S/C14H13NO/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9,13,15H,10H2

InChIKey

BKQRBYFLQYHTCV-UHFFFAOYSA-N

Compound name

3-phenyl-3,4-dihydro-2H-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 211.09972 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]+	212.10700	145.0
[M+Na]+	234.08894	151.7
[M-H]-	210.09244	149.9
[M+NH4]+	229.13354	160.9
[M+K]+	250.06288	147.8
[M+H-H2O]+	194.09698	136.9
[M+HCOO]-	256.09792	162.8
[M+CH3COO]-	270.11357	156.8
[M+Na-2H]-	232.07439	153.8
[M]+	211.09917	141.0
[M]-	211.10027	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe