CID 3058332

1,2,4,4a-tetrahydro-10-chlor-9-methyl-7-phenyl-5h(1,4)oxazino(4,3-a)(1,4)benzodiazepin

Structural Information

Molecular Formula
C19H19ClN2O
SMILES
CC1=CC2=C(C=C1Cl)N3CCOCC3CN=C2C4=CC=CC=C4
InChI
InChI=1S/C19H19ClN2O/c1-13-9-16-18(10-17(13)20)22-7-8-23-12-15(22)11-21-19(16)14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-12H2,1H3
InChIKey
PMQVHYFGALGEHY-UHFFFAOYSA-N
Compound name
10-chloro-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

326.1186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12588 178.9
[M+Na]+ 349.10782 194.1
[M+NH4]+ 344.15242 187.8
[M+K]+ 365.08176 185.7
[M-H]- 325.11132 185.1
[M+Na-2H]- 347.09327 185.6
[M]+ 326.11805 183.4
[M]- 326.11915 183.4
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