CID 291095

Nsc155618

Structural Information

Molecular Formula
C16H15NO
SMILES
C1C2=CC=CC=C2N=C(O1)CCC3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c1-2-6-13(7-3-1)10-11-16-17-15-9-5-4-8-14(15)12-18-16/h1-9H,10-12H2
InChIKey
SKYUOMOTYSBWFD-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)-4H-3,1-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 153.0
[M+Na]+ 260.10459 160.2
[M-H]- 236.10809 159.2
[M+NH4]+ 255.14919 168.6
[M+K]+ 276.07853 156.6
[M+H-H2O]+ 220.11263 144.1
[M+HCOO]- 282.11357 173.0
[M+CH3COO]- 296.12922 165.1
[M+Na-2H]- 258.09004 162.1
[M]+ 237.11482 152.8
[M]- 237.11592 152.8
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.