CID 3058399

Brn 2907487

Structural Information

Molecular Formula
C18H18ClNO5
SMILES
COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)CCl)OC
InChI
InChI=1S/C18H18ClNO5/c1-23-12-5-6-13(16(9-12)25-3)18(22)11-4-7-15(24-2)14(8-11)20-17(21)10-19/h4-9H,10H2,1-3H3,(H,20,21)
InChIKey
CLNHEDFBJHFUBK-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.08734 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09462 180.5
[M+Na]+ 386.07656 188.5
[M-H]- 362.08006 187.7
[M+NH4]+ 381.12116 193.8
[M+K]+ 402.05050 185.1
[M+H-H2O]+ 346.08460 173.0
[M+HCOO]- 408.08554 199.5
[M+CH3COO]- 422.10119 217.2
[M+Na-2H]- 384.06201 181.5
[M]+ 363.08679 188.7
[M]- 363.08789 188.7
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.