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 191.2
[M+Na]+ 395.17300 196.1
[M-H]- 371.17650 199.1
[M+NH4]+ 390.21760 198.4
[M+K]+ 411.14694 191.4
[M+H-H2O]+ 355.18104 178.0
[M+HCOO]- 417.18198 202.4
[M+CH3COO]- 431.19763 198.9
[M+Na-2H]- 393.15845 196.1
[M]+ 372.18323 188.0
[M]- 372.18433 188.0
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.