CID 1641522

N-(4-butylphenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C20H25NO4/c1-5-6-7-14-8-10-16(11-9-14)21-20(22)15-12-17(23-2)19(25-4)18(13-15)24-3/h8-13H,5-7H2,1-4H3,(H,21,22)
InChIKey
YAJJMVCTNZUFSE-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.17834 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 182.8
[M+Na]+ 366.167558 189.2
[M-H]- 342.171064 189.5
[M+NH4]+ 361.212163 196.2
[M+K]+ 382.141498 186.5
[M+H-H2O]+ 326.175600 173.9
[M+HCOO]- 388.176541 206.1
[M+CH3COO]- 402.192191 217.3
[M+Na-2H]- 364.153006 184.0
[M]+ 343.17779142 189.1
[M]- 343.17888858 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.