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]+ 268.15434 161.3
[M+Na]+ 290.13628 168.2
[M-H]- 266.13978 165.0
[M+NH4]+ 285.18088 178.1
[M+K]+ 306.11022 167.3
[M+H-H2O]+ 250.14432 154.3
[M+HCOO]- 312.14526 185.3
[M+CH3COO]- 326.16091 202.3
[M+Na-2H]- 288.12173 163.8
[M]+ 267.14651 167.8
[M]- 267.14761 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