CID 45051432

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

Structural Information

Molecular Formula
C19H22ClNO5
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Cl
InChI
InChI=1S/C19H22ClNO5/c1-23-15-6-5-12(9-14(15)20)7-8-21-19(22)13-10-16(24-2)18(26-4)17(11-13)25-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,22)
InChIKey
XXOIZWFTVBUBFG-UHFFFAOYSA-N
Compound name
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.11865 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12593 186.4
[M+Na]+ 402.10787 194.8
[M-H]- 378.11137 193.6
[M+NH4]+ 397.15247 199.5
[M+K]+ 418.08181 191.4
[M+H-H2O]+ 362.11591 178.7
[M+HCOO]- 424.11685 205.8
[M+CH3COO]- 438.13250 221.3
[M+Na-2H]- 400.09332 187.3
[M]+ 379.11810 196.6
[M]- 379.11920 196.6
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.