CID 4337747

Schembl12162755

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CC1=CC=C(C=C1)N2CC3=CC=CC=C3OC2

InChI

InChI=1S/C15H15NO/c1-12-6-8-14(9-7-12)16-10-13-4-2-3-5-15(13)17-11-16/h2-9H,10-11H2,1H3

InChIKey

IISKPZHYLUEHSJ-UHFFFAOYSA-N

Compound name

3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 225.11537 Da
Monoisotopic Mass: 3.7
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]+	226.12265	150.4
[M+Na]+	248.10459	166.9
[M+NH4]+	243.14919	160.7
[M+K]+	264.07853	158.2
[M-H]-	224.10809	157.5
[M+Na-2H]-	246.09004	159.8
[M]+	225.11482	155.1
[M]-	225.11592	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe