CID 504597

2-amino-7-[(1r)-1-phenylethyl]-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C[C@H](C1=CC=CC=C1)C2=CC3=C(C=C2)C(=O)OC(=N3)N
InChI
InChI=1S/C16H14N2O2/c1-10(11-5-3-2-4-6-11)12-7-8-13-14(9-12)18-16(17)20-15(13)19/h2-10H,1H3,(H2,17,18)/t10-/m1/s1
InChIKey
RIPCMMOTWXSRJC-SNVBAGLBSA-N
Compound name
2-amino-7-[(1R)-1-phenylethyl]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.6
[M+Na]+ 289.09475 169.7
[M-H]- 265.09825 167.7
[M+NH4]+ 284.13935 174.9
[M+K]+ 305.06869 166.1
[M+H-H2O]+ 249.10279 151.8
[M+HCOO]- 311.10373 181.8
[M+CH3COO]- 325.11938 172.8
[M+Na-2H]- 287.08020 167.4
[M]+ 266.10498 161.3
[M]- 266.10608 161.3
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.