CID 3074361

1,3-benzodioxole-5-carboxamide, n,n-diethyl-4-(6-((diethylamino)carbonyl)-2,3,4-trimethoxyphenyl)-

Structural Information

Molecular Formula
C26H34N2O7
SMILES
CCN(CC)C(=O)C1=C(C2=C(C=C1)OCO2)C3=C(C(=C(C=C3C(=O)N(CC)CC)OC)OC)OC
InChI
InChI=1S/C26H34N2O7/c1-8-27(9-2)25(29)16-12-13-18-22(35-15-34-18)20(16)21-17(26(30)28(10-3)11-4)14-19(31-5)23(32-6)24(21)33-7/h12-14H,8-11,15H2,1-7H3
InChIKey
GHSZRHKHKSKWEA-UHFFFAOYSA-N
Compound name
4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.2366 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.243876 223.3
[M+Na]+ 509.225818 227.7
[M-H]- 485.229324 234.6
[M+NH4]+ 504.270423 231.6
[M+K]+ 525.199758 230.4
[M+H-H2O]+ 469.233860 214.3
[M+HCOO]- 531.234801 243.0
[M+CH3COO]- 545.250451 253.7
[M+Na-2H]- 507.211266 219.7
[M]+ 486.23605142 236.2
[M]- 486.23714858 236.2
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

No patent data available for this compound.