CID 5792458

Brn 3560268

Structural Information

Molecular Formula
C17H11ClN2O3
SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C\C(=O)C3=CC=C(C=C3)Cl)/OC2=N
InChI
InChI=1S/C17H11ClN2O3/c18-12-8-6-11(7-9-12)14(21)10-15-16(22)20(17(19)23-15)13-4-2-1-3-5-13/h1-10,19H/b15-10+,19-17?
InChIKey
GZKDHGYKBZRHPO-MKODQCMXSA-N
Compound name
(5E)-5-[2-(4-chlorophenyl)-2-oxoethylidene]-2-imino-3-phenyl-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05308 175.0
[M+Na]+ 349.03502 183.8
[M-H]- 325.03852 184.4
[M+NH4]+ 344.07962 188.3
[M+K]+ 365.00896 178.0
[M+H-H2O]+ 309.04306 166.9
[M+HCOO]- 371.04400 192.0
[M+CH3COO]- 385.05965 206.9
[M+Na-2H]- 347.02047 175.6
[M]+ 326.04525 175.5
[M]- 326.04635 175.5
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.