CID 3041757

Brn 1660219

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]+ 358.08406 181.0
[M+Na]+ 380.06600 189.9
[M-H]- 356.06950 189.6
[M+NH4]+ 375.11060 194.0
[M+K]+ 396.03994 186.2
[M+H-H2O]+ 340.07404 173.4
[M+HCOO]- 402.07498 197.5
[M+CH3COO]- 416.09063 214.4
[M+Na-2H]- 378.05145 187.8
[M]+ 357.07623 187.2
[M]- 357.07733 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.