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 153.9
[M+Na]+ 271.08418 164.8
[M-H]- 247.08768 160.5
[M+NH4]+ 266.12878 171.7
[M+K]+ 287.05812 163.2
[M+H-H2O]+ 231.09222 147.4
[M+HCOO]- 293.09316 172.7
[M+CH3COO]- 307.10881 166.8
[M+Na-2H]- 269.06963 162.2
[M]+ 248.09441 154.5
[M]- 248.09551 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.