CID 215290

35382-75-3

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)N(C(=O)O2)CC(=O)N
InChI
InChI=1S/C16H13ClN2O3/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)22-16(21)19(13)9-14(18)20/h1-8,15H,9H2,(H2,18,20)
InChIKey
WJEHXPYVLUZSBV-UHFFFAOYSA-N
Compound name
2-(6-chloro-2-oxo-4-phenyl-4H-3,1-benzoxazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06146 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06874 171.1
[M+Na]+ 339.05068 179.9
[M-H]- 315.05418 177.5
[M+NH4]+ 334.09528 184.2
[M+K]+ 355.02462 175.3
[M+H-H2O]+ 299.05872 163.0
[M+HCOO]- 361.05966 185.1
[M+CH3COO]- 375.07531 182.0
[M+Na-2H]- 337.03613 174.8
[M]+ 316.06091 172.4
[M]- 316.06201 172.4
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

No patent data available for this compound.