CID 72941683

63434-11-7

Structural Information

Molecular Formula
C25H38N2O4
SMILES
CN(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C25H38N2O4/c1-26(16-12-20-8-10-22(28-3)24(18-20)30-5)14-7-15-27(2)17-13-21-9-11-23(29-4)25(19-21)31-6/h8-11,18-19H,7,12-17H2,1-6H3
InChIKey
NIPJEFAVJUDPJW-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

430.28317 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.290446 210.9
[M+Na]+ 453.272388 214.2
[M-H]- 429.275894 219.2
[M+NH4]+ 448.316993 221.5
[M+K]+ 469.246328 213.3
[M+H-H2O]+ 413.280430 199.9
[M+HCOO]- 475.281371 235.1
[M+CH3COO]- 489.297021 244.1
[M+Na-2H]- 451.257836 209.5
[M]+ 430.28262142 222.0
[M]- 430.28371858 222.0
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

patents stripe