CID 201431

Urea, 1-ethyl-3-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CCNC(=O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C13H18N2O5/c1-5-14-13(17)15-12(16)8-6-9(18-2)11(20-4)10(7-8)19-3/h6-7H,5H2,1-4H3,(H2,14,15,16,17)
InChIKey
HHNQDEZYSBUKAG-UHFFFAOYSA-N
Compound name
N-(ethylcarbamoyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.12158 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 162.7
[M+Na]+ 305.11080 169.2
[M-H]- 281.11430 166.7
[M+NH4]+ 300.15540 178.3
[M+K]+ 321.08474 169.1
[M+H-H2O]+ 265.11884 155.4
[M+HCOO]- 327.11978 187.4
[M+CH3COO]- 341.13543 205.5
[M+Na-2H]- 303.09625 165.0
[M]+ 282.12103 167.9
[M]- 282.12213 167.9
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