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]+ 249.102236 153.9
[M+Na]+ 271.084178 164.8
[M-H]- 247.087684 160.5
[M+NH4]+ 266.128783 171.7
[M+K]+ 287.058118 163.2
[M+H-H2O]+ 231.092220 147.4
[M+HCOO]- 293.093161 172.7
[M+CH3COO]- 307.108811 166.8
[M+Na-2H]- 269.069626 162.2
[M]+ 248.09441142 154.5
[M]- 248.09550858 154.5
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.