CID 111372

2-propanol, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-[[3-[2-[(5-aminopentyl)oxy]ethoxy]propyl]amino]-

Structural Information

Molecular Formula
C41H72N4O8
SMILES
CC(C)(C1=CC=C(C=C1)OCC(CNCCCOCCOCCCCCN)O)C2=CC=C(C=C2)OCC(CNCCCOCCOCCCCCN)O
InChI
InChI=1S/C41H72N4O8/c1-41(2,35-11-15-39(16-12-35)52-33-37(46)31-44-21-9-25-50-29-27-48-23-7-3-5-19-42)36-13-17-40(18-14-36)53-34-38(47)32-45-22-10-26-51-30-28-49-24-8-4-6-20-43/h11-18,37-38,44-47H,3-10,19-34,42-43H2,1-2H3
InChIKey
HAYVRMKSMZNSEC-UHFFFAOYSA-N
Compound name
1-[3-[2-(5-aminopentoxy)ethoxy]propylamino]-3-[4-[2-[4-[3-[3-[2-(5-aminopentoxy)ethoxy]propylamino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

748.53503 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.54231 260.2
[M+Na]+ 771.52425 267.9
[M-H]- 747.52775 256.4
[M+NH4]+ 766.56885 256.8
[M+K]+ 787.49819 261.4
[M+H-H2O]+ 731.53229 255.3
[M+HCOO]- 793.53323 262.1
[M+CH3COO]- 807.54888 295.4
[M+Na-2H]- 769.50970 242.0
[M]+ 748.53448 250.1
[M]- 748.53558 250.1
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.