CID 453920

10et-dboa

Structural Information

Molecular Formula
C15H15NO
SMILES
CCN1CC2=CC=CC=C2OC3=CC=CC=C31
InChI
InChI=1S/C15H15NO/c1-2-16-11-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16/h3-10H,2,11H2,1H3
InChIKey
FGTLOLUVRMGQLG-UHFFFAOYSA-N
Compound name
5-ethyl-6H-benzo[b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.11537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 146.8
[M+Na]+ 248.10459 154.5
[M-H]- 224.10809 152.7
[M+NH4]+ 243.14919 163.8
[M+K]+ 264.07853 155.0
[M+H-H2O]+ 208.11263 140.9
[M+HCOO]- 270.11357 165.3
[M+CH3COO]- 284.12922 159.2
[M+Na-2H]- 246.09004 156.0
[M]+ 225.11482 145.2
[M]- 225.11592 145.2
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.