CID 3046681

Dibenz(b,f)imidazo(1,2-d)(1,4)oxazepine, 3-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H12N2O
SMILES
CC1=CN=C2N1C3=CC=CC=C3OC4=CC=CC=C42
InChI
InChI=1S/C16H12N2O/c1-11-10-17-16-12-6-2-4-8-14(12)19-15-9-5-3-7-13(15)18(11)16/h2-10H,1H3
InChIKey
IODQYWUHTKOJQT-UHFFFAOYSA-N
Compound name
3-methyl-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09496 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 156.0
[M+Na]+ 271.08418 170.5
[M+NH4]+ 266.12878 165.2
[M+K]+ 287.05812 165.3
[M-H]- 247.08768 160.4
[M+Na-2H]- 269.06963 162.1
[M]+ 248.09441 159.6
[M]- 248.09551 159.6
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

No patent data available for this compound.