CID 96754

Nsc 88846

Structural Information

Molecular Formula
C24H24N2O2
SMILES
C1C2=C(C=CC3=C2CN(CO3)CC4=CC=CC=C4)OCN1CC5=CC=CC=C5
InChI
InChI=1S/C24H24N2O2/c1-3-7-19(8-4-1)13-25-15-21-22-16-26(14-20-9-5-2-6-10-20)18-28-24(22)12-11-23(21)27-17-25/h1-12H,13-18H2
InChIKey
SZQLABXYFDDCOE-UHFFFAOYSA-N
Compound name
2,9-dibenzyl-1,3,8,10-tetrahydro-[1,3]oxazino[5,6-f][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19106 193.2
[M+Na]+ 395.17300 210.7
[M+NH4]+ 390.21760 202.5
[M+K]+ 411.14694 200.4
[M-H]- 371.17650 203.4
[M+Na-2H]- 393.15845 201.5
[M]+ 372.18323 198.9
[M]- 372.18433 198.9
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.