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]+ 487.24388 223.3
[M+Na]+ 509.22582 227.7
[M-H]- 485.22932 234.6
[M+NH4]+ 504.27042 231.6
[M+K]+ 525.19976 230.4
[M+H-H2O]+ 469.23386 214.3
[M+HCOO]- 531.23480 243.0
[M+CH3COO]- 545.25045 253.7
[M+Na-2H]- 507.21127 219.7
[M]+ 486.23605 236.2
[M]- 486.23715 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.