CID 384676

Nsc674721

Structural Information

Molecular Formula
C22H14ClNO4
SMILES
C1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC(=CC=C4)Cl)OC2=O
InChI
InChI=1S/C22H14ClNO4/c23-17-8-4-7-15(11-17)21(26)16-9-10-20-18(12-16)24(22(27)28-20)13-19(25)14-5-2-1-3-6-14/h1-12H,13H2
InChIKey
GHNZZNPFOCVVLH-UHFFFAOYSA-N
Compound name
5-(3-chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.06113 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06841 190.1
[M+Na]+ 414.05035 200.9
[M-H]- 390.05385 201.1
[M+NH4]+ 409.09495 201.9
[M+K]+ 430.02429 195.3
[M+H-H2O]+ 374.05839 181.1
[M+HCOO]- 436.05933 207.1
[M+CH3COO]- 450.07498 201.5
[M+Na-2H]- 412.03580 192.0
[M]+ 391.06058 197.5
[M]- 391.06168 197.5
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.