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

0
Patents

375.18344 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19072 192.6
[M+Na]+ 398.17266 197.8
[M-H]- 374.17616 201.1
[M+NH4]+ 393.21726 201.9
[M+K]+ 414.14660 193.5
[M+H-H2O]+ 358.18070 180.7
[M+HCOO]- 420.18164 209.6
[M+CH3COO]- 434.19729 201.5
[M+Na-2H]- 396.15811 196.8
[M]+ 375.18289 194.1
[M]- 375.18399 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.