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]+ 399.22783 198.9
[M+Na]+ 421.20977 201.6
[M-H]- 397.21327 204.6
[M+NH4]+ 416.25437 209.0
[M+K]+ 437.18371 198.8
[M+H-H2O]+ 381.21781 189.5
[M+HCOO]- 443.21875 219.8
[M+CH3COO]- 457.23440 228.7
[M+Na-2H]- 419.19522 200.3
[M]+ 398.22000 202.8
[M]- 398.22110 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.