CID 1116290

N-(5-chloro-2-methoxyphenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C17H18ClNO5
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H18ClNO5/c1-21-13-6-5-11(18)9-12(13)19-17(20)10-7-14(22-2)16(24-4)15(8-10)23-3/h5-9H,1-4H3,(H,19,20)
InChIKey
IPVYEZCTFDUGCJ-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.08734 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09462 177.1
[M+Na]+ 374.07656 186.4
[M-H]- 350.08006 184.8
[M+NH4]+ 369.12116 191.4
[M+K]+ 390.05050 183.4
[M+H-H2O]+ 334.08460 169.8
[M+HCOO]- 396.08554 197.2
[M+CH3COO]- 410.10119 215.4
[M+Na-2H]- 372.06201 179.1
[M]+ 351.08679 186.7
[M]- 351.08789 186.7
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.