CID 15955773

Schembl6498370

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
C[C@H](C1=CC=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C(=O)O2
InChI
InChI=1S/C16H13ClN2O2/c1-10(11-5-3-2-4-6-11)18-16-19-14-8-7-12(17)9-13(14)15(20)21-16/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKey
MAUDYBLSZIKRHK-SNVBAGLBSA-N
Compound name
6-chloro-2-[[(1R)-1-phenylethyl]amino]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

300.06656 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 166.5
[M+Na]+ 323.05578 176.3
[M-H]- 299.05928 173.7
[M+NH4]+ 318.10038 180.5
[M+K]+ 339.02972 171.5
[M+H-H2O]+ 283.06382 158.1
[M+HCOO]- 345.06476 183.6
[M+CH3COO]- 359.08041 178.5
[M+Na-2H]- 321.04123 173.8
[M]+ 300.06601 170.4
[M]- 300.06711 170.4
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

patents stripe