CID 3041757

Propanamide, 2-(4-chlorophenoxy)-2-methyl-n-(4-oxo-4h-1-benzopyran-2-yl)-

Structural Information

Molecular Formula
C19H16ClNO4
SMILES
CC(C)(C(=O)NC1=CC(=O)C2=CC=CC=C2O1)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO4/c1-19(2,25-13-9-7-12(20)8-10-13)18(23)21-17-11-15(22)14-5-3-4-6-16(14)24-17/h3-11H,1-2H3,(H,21,23)
InChIKey
GQHNQVHQTQPMDC-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-2-methyl-N-(4-oxochromen-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.084056 181.0
[M+Na]+ 380.065998 189.9
[M-H]- 356.069504 189.6
[M+NH4]+ 375.110603 194.0
[M+K]+ 396.039938 186.2
[M+H-H2O]+ 340.074040 173.4
[M+HCOO]- 402.074981 197.5
[M+CH3COO]- 416.090631 214.4
[M+Na-2H]- 378.051446 187.8
[M]+ 357.07623142 187.2
[M]- 357.07732858 187.2
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.