CID 3042056

Fs-167

Structural Information

Molecular Formula

C₂₄H₂₅NO₃

SMILES

COC1=CC=CC2=C1OCN(C2)CCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO3/c1-26-23-9-5-8-21-16-25(18-28-24(21)23)15-14-19-10-12-22(13-11-19)27-17-20-6-3-2-4-7-20/h2-13H,14-18H2,1H3

InChIKey

VUVLUERMIVUPIC-UHFFFAOYSA-N

Compound name

8-methoxy-3-[2-(4-phenylmethoxyphenyl)ethyl]-2,4-dihydro-1,3-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 375.18344 Da
Monoisotopic Mass: 5.0
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]+	376.190716	192.6
[M+Na]+	398.172658	197.8
[M-H]-	374.176164	201.1
[M+NH4]+	393.217263	201.9
[M+K]+	414.146598	193.5
[M+H-H2O]+	358.180700	180.7
[M+HCOO]-	420.181641	209.6
[M+CH3COO]-	434.197291	201.5
[M+Na-2H]-	396.158106	196.8
[M]+	375.18289142	194.1
[M]-	375.18398858	194.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe