CID 836148

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

Structural Information

Molecular Formula
C17H18ClNO4
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H18ClNO4/c1-10-12(18)6-5-7-13(10)19-17(20)11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3,(H,19,20)
InChIKey
ACEYLXRHCTVXCJ-UHFFFAOYSA-N
Compound name
N-(3-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09972 174.7
[M+Na]+ 358.08166 184.2
[M-H]- 334.08516 182.3
[M+NH4]+ 353.12626 189.7
[M+K]+ 374.05560 180.5
[M+H-H2O]+ 318.08970 167.6
[M+HCOO]- 380.09064 194.6
[M+CH3COO]- 394.10629 213.2
[M+Na-2H]- 356.06711 176.5
[M]+ 335.09189 182.8
[M]- 335.09299 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.