CID 5388020

Nsc630891

Structural Information

Molecular Formula
C22H13Cl2NO3
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)OC4=CC(=C(C=C4)Cl)Cl)/C(=O)O2
InChI
InChI=1S/C22H13Cl2NO3/c23-18-11-10-17(13-19(18)24)27-16-8-6-14(7-9-16)12-20-22(26)28-21(25-20)15-4-2-1-3-5-15/h1-13H/b20-12-
InChIKey
ADPNZQKYVCZNGB-NDENLUEZSA-N
Compound name
(4Z)-4-[[4-(3,4-dichlorophenoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.02725 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.03453 196.6
[M+Na]+ 432.01647 207.3
[M-H]- 408.01997 208.2
[M+NH4]+ 427.06107 207.2
[M+K]+ 447.99041 199.9
[M+H-H2O]+ 392.02451 186.8
[M+HCOO]- 454.02545 208.7
[M+CH3COO]- 468.04110 207.1
[M+Na-2H]- 430.00192 196.3
[M]+ 409.02670 201.9
[M]- 409.02780 201.9
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.