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]+ 373.191056 191.2
[M+Na]+ 395.172998 196.1
[M-H]- 371.176504 199.1
[M+NH4]+ 390.217603 198.4
[M+K]+ 411.146938 191.4
[M+H-H2O]+ 355.181040 178.0
[M+HCOO]- 417.181981 202.4
[M+CH3COO]- 431.197631 198.9
[M+Na-2H]- 393.158446 196.1
[M]+ 372.18323142 188.0
[M]- 372.18432858 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.