CID 3058335

4h-(1,4)oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-10-methoxy-7-phenyl-

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC1=CC2=C(C=C1)C(=NCC3N2CCOC3)C4=CC=CC=C4
InChI
InChI=1S/C19H20N2O2/c1-22-16-7-8-17-18(11-16)21-9-10-23-13-15(21)12-20-19(17)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12-13H2,1H3
InChIKey
FHOSNLHIPUIYLU-UHFFFAOYSA-N
Compound name
10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 171.9
[M+Na]+ 331.14169 178.1
[M-H]- 307.14519 178.6
[M+NH4]+ 326.18629 183.6
[M+K]+ 347.11563 177.9
[M+H-H2O]+ 291.14973 162.6
[M+HCOO]- 353.15067 186.3
[M+CH3COO]- 367.16632 181.6
[M+Na-2H]- 329.12714 178.0
[M]+ 308.15192 168.3
[M]- 308.15302 168.3
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