CID 50943

N-butyl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C14H21NO4
SMILES
CCCCNC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H21NO4/c1-5-6-7-15-14(16)10-8-11(17-2)13(19-4)12(9-10)18-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKey
VMBFKKOESWAMII-UHFFFAOYSA-N
Compound name
N-butyl-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

267.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 162.0
[M+Na]+ 290.13628 172.6
[M+NH4]+ 285.18088 168.1
[M+K]+ 306.11022 167.1
[M-H]- 266.13978 163.0
[M+Na-2H]- 288.12173 166.1
[M]+ 267.14651 163.5
[M]- 267.14761 163.5
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

patents stripe