CID 802692

3-chloro-n-(2,4-dimethoxyphenyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C16H16ClNO4
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)Cl)OC
InChI
InChI=1S/C16H16ClNO4/c1-20-11-5-6-13(15(9-11)22-3)18-16(19)10-4-7-14(21-2)12(17)8-10/h4-9H,1-3H3,(H,18,19)
InChIKey
HCAYCDXYGKSYRT-UHFFFAOYSA-N
Compound name
3-chloro-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08406 170.3
[M+Na]+ 344.06600 179.4
[M-H]- 320.06950 177.7
[M+NH4]+ 339.11060 185.6
[M+K]+ 360.03994 175.7
[M+H-H2O]+ 304.07404 163.2
[M+HCOO]- 366.07498 190.6
[M+CH3COO]- 380.09063 209.0
[M+Na-2H]- 342.05145 173.3
[M]+ 321.07623 177.6
[M]- 321.07733 177.6
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.