CID 3058322

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

Structural Information

Molecular Formula
C19H20N2O
SMILES
CC1=CC2=C(C=C1)C(=NCC3N2CCOC3)C4=CC=CC=C4
InChI
InChI=1S/C19H20N2O/c1-14-7-8-17-18(11-14)21-9-10-22-13-16(21)12-20-19(17)15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-13H2,1H3
InChIKey
NZVMVWOBAQFVSU-UHFFFAOYSA-N
Compound name
10-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 168.8
[M+Na]+ 315.14678 175.3
[M-H]- 291.15028 175.6
[M+NH4]+ 310.19138 181.3
[M+K]+ 331.12072 174.3
[M+H-H2O]+ 275.15482 159.8
[M+HCOO]- 337.15576 183.1
[M+CH3COO]- 351.17141 178.7
[M+Na-2H]- 313.13223 174.9
[M]+ 292.15701 164.0
[M]- 292.15811 164.0
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

patents stripe