CID 3062829

99153-58-9

Structural Information

Molecular Formula
C21H36N2O6
SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)CCOCCOCCOCCO)OC
InChI
InChI=1S/C21H36N2O6/c1-25-20-4-3-19(17-21(20)26-2)18-23-7-5-22(6-8-23)9-11-27-13-15-29-16-14-28-12-10-24/h3-4,17,24H,5-16,18H2,1-2H3
InChIKey
QHKHRMFDCKYRSC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

412.25732 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.26460 200.5
[M+Na]+ 435.24654 202.2
[M-H]- 411.25004 200.8
[M+NH4]+ 430.29114 207.1
[M+K]+ 451.22048 199.9
[M+H-H2O]+ 395.25458 189.3
[M+HCOO]- 457.25552 215.0
[M+CH3COO]- 471.27117 222.5
[M+Na-2H]- 433.23199 199.8
[M]+ 412.25677 206.5
[M]- 412.25787 206.5
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