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

83
Patents

267.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 161.3
[M+Na]+ 290.136278 168.2
[M-H]- 266.139784 165.0
[M+NH4]+ 285.180883 178.1
[M+K]+ 306.110218 167.3
[M+H-H2O]+ 250.144320 154.3
[M+HCOO]- 312.145261 185.3
[M+CH3COO]- 326.160911 202.3
[M+Na-2H]- 288.121726 163.8
[M]+ 267.14651142 167.8
[M]- 267.14760858 167.8
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

patents stripe