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
2
Annotation Hits

0
References

347
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 208.6
[M+Na]+ 457.18865 213.2
[M-H]- 433.19215 219.1
[M+NH4]+ 452.23325 212.6
[M+K]+ 473.16259 207.3
[M+H-H2O]+ 417.19669 193.4
[M+HCOO]- 479.19763 218.8
[M+CH3COO]- 493.21328 214.9
[M+Na-2H]- 455.17410 211.8
[M]+ 434.19888 204.3
[M]- 434.19998 204.3
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