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]+ 431.29045 210.9
[M+Na]+ 453.27239 214.2
[M-H]- 429.27589 219.2
[M+NH4]+ 448.31699 221.5
[M+K]+ 469.24633 213.3
[M+H-H2O]+ 413.28043 199.9
[M+HCOO]- 475.28137 235.1
[M+CH3COO]- 489.29702 244.1
[M+Na-2H]- 451.25784 209.5
[M]+ 430.28262 222.0
[M]- 430.28372 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