CID 12474572

70310-30-4

Structural Information

Molecular Formula
C14H13NO
SMILES
C1C(NC2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C14H13NO/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9,13,15H,10H2
InChIKey
BKQRBYFLQYHTCV-UHFFFAOYSA-N
Compound name
3-phenyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

211.09972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 146.7
[M+Na]+ 234.08894 162.4
[M+NH4]+ 229.13354 156.7
[M+K]+ 250.06288 154.0
[M-H]- 210.09244 153.2
[M+Na-2H]- 232.07439 155.9
[M]+ 211.09917 150.9
[M]- 211.10027 150.9
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