CID 371953

Nsc646710

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)C2=NC=C(C3=CC=CC=C3O2)O
InChI
InChI=1S/C15H11NO2/c17-13-10-16-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10,17H
InChIKey
WBSJEQOIZLCHDQ-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-benzoxazepin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.1
[M+Na]+ 260.06820 158.0
[M-H]- 236.07170 157.3
[M+NH4]+ 255.11280 164.6
[M+K]+ 276.04214 159.0
[M+H-H2O]+ 220.07624 143.7
[M+HCOO]- 282.07718 170.2
[M+CH3COO]- 296.09283 162.4
[M+Na-2H]- 258.05365 159.1
[M]+ 237.07843 148.2
[M]- 237.07953 148.2
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.