CID 375240

Nsc654629

Structural Information

Molecular Formula
C25H19Cl2NO4
SMILES
CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C25H19Cl2NO4/c1-25(2,24(30)28-23-18(26)9-6-10-19(23)27)32-16-11-12-17-20(29)14-21(31-22(17)13-16)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,28,30)
InChIKey
OMIUNFVAQHFVKB-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-methyl-2-(4-oxo-2-phenylchromen-7-yl)oxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.06912 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.07640 210.0
[M+Na]+ 490.05834 219.5
[M-H]- 466.06184 220.9
[M+NH4]+ 485.10294 218.9
[M+K]+ 506.03228 214.0
[M+H-H2O]+ 450.06638 201.0
[M+HCOO]- 512.06732 220.4
[M+CH3COO]- 526.08297 234.5
[M+Na-2H]- 488.04379 213.6
[M]+ 467.06857 218.1
[M]- 467.06967 218.1
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.