CID 9213

Dibenz[b,f][1,4]oxazepine

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC=C2C(=C1)C=NC3=CC=CC=C3O2
InChI
InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H
InChIKey
NPUACKRELIJTFM-UHFFFAOYSA-N
Compound name
benzo[b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

24
References

669
Patents

195.06842 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.075696 136.5
[M+Na]+ 218.057638 145.2
[M-H]- 194.061144 142.8
[M+NH4]+ 213.102243 154.4
[M+K]+ 234.031578 146.0
[M+H-H2O]+ 178.065680 131.1
[M+HCOO]- 240.066621 157.1
[M+CH3COO]- 254.082271 150.0
[M+Na-2H]- 216.043086 148.5
[M]+ 195.06787142 135.3
[M]- 195.06896858 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe