CID 3058321

1,2,4a,5-tetrahydro-9-methyl-7-phenyl-4h-(1,4)oxazino(4,3-a)(1,4)benzodiazepine

Structural Information

Molecular Formula
C19H20N2O
SMILES
CC1=CC2=C(C=C1)N3CCOCC3CN=C2C4=CC=CC=C4
InChI
InChI=1S/C19H20N2O/c1-14-7-8-18-17(11-14)19(15-5-3-2-4-6-15)20-12-16-13-22-10-9-21(16)18/h2-8,11,16H,9-10,12-13H2,1H3
InChIKey
FVZRZJCBVMLTRL-UHFFFAOYSA-N
Compound name
9-methyl-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

292.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 173.2
[M+Na]+ 315.14678 187.3
[M+NH4]+ 310.19138 181.9
[M+K]+ 331.12072 179.6
[M-H]- 291.15028 179.3
[M+Na-2H]- 313.13223 180.1
[M]+ 292.15701 177.2
[M]- 292.15811 177.2
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