CID 20582009

137836-80-7

Structural Information

Molecular Formula
C29H26N2O2
SMILES
C1C2=C(C=CC(=C2)CC3=CC4=C(C=C3)OCN(C4)C5=CC=CC=C5)OCN1C6=CC=CC=C6
InChI
InChI=1S/C29H26N2O2/c1-3-7-26(8-4-1)30-18-24-16-22(11-13-28(24)32-20-30)15-23-12-14-29-25(17-23)19-31(21-33-29)27-9-5-2-6-10-27/h1-14,16-17H,15,18-21H2
InChIKey
LVGAZNUUPCRHIJ-UHFFFAOYSA-N
Compound name
3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

434.19943 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20671 210.6
[M+Na]+ 457.18865 230.2
[M+NH4]+ 452.23325 220.1
[M+K]+ 473.16259 218.5
[M-H]- 433.19215 223.4
[M+Na-2H]- 455.17410 221.0
[M]+ 434.19888 217.6
[M]- 434.19998 217.6
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

patents stripe