CID 121298

Brn 2610635

Structural Information

Molecular Formula
C33H50N2O6
SMILES
CCCC1=CC(=C(C(=C1)OC)OCC(=O)N(CC)CC)CC2=C(C(=CC(=C2)CCC)OC)OCC(=O)N(CC)CC
InChI
InChI=1S/C33H50N2O6/c1-9-15-24-17-26(32(28(19-24)38-7)40-22-30(36)34(11-3)12-4)21-27-18-25(16-10-2)20-29(39-8)33(27)41-23-31(37)35(13-5)14-6/h17-20H,9-16,21-23H2,1-8H3
InChIKey
FQGMZRHEYLGQAH-UHFFFAOYSA-N
Compound name
2-[2-[[2-[2-(diethylamino)-2-oxoethoxy]-3-methoxy-5-propylphenyl]methyl]-6-methoxy-4-propylphenoxy]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.3669 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.37418 248.5
[M+Na]+ 593.35612 249.7
[M-H]- 569.35962 256.1
[M+NH4]+ 588.40072 253.4
[M+K]+ 609.33006 249.2
[M+H-H2O]+ 553.36416 236.8
[M+HCOO]- 615.36510 268.6
[M+CH3COO]- 629.38075 272.5
[M+Na-2H]- 591.34157 240.0
[M]+ 570.36635 263.2
[M]- 570.36745 263.2
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.