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]+ 344.18562 182.8
[M+Na]+ 366.16756 189.2
[M-H]- 342.17106 189.5
[M+NH4]+ 361.21216 196.2
[M+K]+ 382.14150 186.5
[M+H-H2O]+ 326.17560 173.9
[M+HCOO]- 388.17654 206.1
[M+CH3COO]- 402.19219 217.3
[M+Na-2H]- 364.15301 184.0
[M]+ 343.17779 189.1
[M]- 343.17889 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.