CID 3039134

Brn 2790699

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CCCCC(CC)(C(=O)NC1=CC=CC=C1OC)C(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C23H30N2O4/c1-5-7-16-23(6-2,21(26)24-17-12-8-10-14-19(17)28-3)22(27)25-18-13-9-11-15-20(18)29-4/h8-15H,5-7,16H2,1-4H3,(H,24,26)(H,25,27)
InChIKey
ITQRLFYISAOYMD-UHFFFAOYSA-N
Compound name
2-butyl-2-ethyl-N,N'-bis(2-methoxyphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.227826 198.9
[M+Na]+ 421.209768 201.6
[M-H]- 397.213274 204.6
[M+NH4]+ 416.254373 209.0
[M+K]+ 437.183708 198.8
[M+H-H2O]+ 381.217810 189.5
[M+HCOO]- 443.218751 219.8
[M+CH3COO]- 457.234401 228.7
[M+Na-2H]- 419.195216 200.3
[M]+ 398.22000142 202.8
[M]- 398.22109858 202.8
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

No patent data available for this compound.