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

5
Patents

308.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 171.9
[M+Na]+ 331.141688 178.1
[M-H]- 307.145194 178.6
[M+NH4]+ 326.186293 183.6
[M+K]+ 347.115628 177.9
[M+H-H2O]+ 291.149730 162.6
[M+HCOO]- 353.150671 186.3
[M+CH3COO]- 367.166321 181.6
[M+Na-2H]- 329.127136 178.0
[M]+ 308.15192142 168.3
[M]- 308.15301858 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