CID 725808

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

Structural Information

Molecular Formula
C17H18ClNO4
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H18ClNO4/c1-10-5-6-12(18)9-13(10)19-17(20)11-7-14(21-2)16(23-4)15(8-11)22-3/h5-9H,1-4H3,(H,19,20)
InChIKey
QJQBXWIRXXYUSK-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.09244 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.099716 174.7
[M+Na]+ 358.081658 184.2
[M-H]- 334.085164 182.3
[M+NH4]+ 353.126263 189.7
[M+K]+ 374.055598 180.5
[M+H-H2O]+ 318.089700 167.6
[M+HCOO]- 380.090641 194.6
[M+CH3COO]- 394.106291 213.2
[M+Na-2H]- 356.067106 176.5
[M]+ 335.09189142 182.8
[M]- 335.09298858 182.8
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.