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]+ 364.094616 180.5
[M+Na]+ 386.076558 188.5
[M-H]- 362.080064 187.7
[M+NH4]+ 381.121163 193.8
[M+K]+ 402.050498 185.1
[M+H-H2O]+ 346.084600 173.0
[M+HCOO]- 408.085541 199.5
[M+CH3COO]- 422.101191 217.2
[M+Na-2H]- 384.062006 181.5
[M]+ 363.08679142 188.7
[M]- 363.08788858 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.