CID 354190

Nsc605117

Structural Information

Molecular Formula
C16H15NO2
SMILES
C1CC2=CC=CC=C2N(OC1)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO2/c18-16(14-8-2-1-3-9-14)17-15-11-5-4-7-13(15)10-6-12-19-17/h1-5,7-9,11H,6,10,12H2
InChIKey
NMVOTJMRRADBQF-UHFFFAOYSA-N
Compound name
4,5-dihydro-3H-2,1-benzoxazepin-1-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 154.6
[M+Na]+ 276.09950 159.7
[M-H]- 252.10300 161.9
[M+NH4]+ 271.14410 168.6
[M+K]+ 292.07344 161.1
[M+H-H2O]+ 236.10754 147.5
[M+HCOO]- 298.10848 172.3
[M+CH3COO]- 312.12413 165.7
[M+Na-2H]- 274.08495 161.1
[M]+ 253.10973 150.3
[M]- 253.11083 150.3
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.