CID 13059954

1,1'-iminobis(3-(cycloheptyloxy)-2-propanol)

Structural Information

Molecular Formula
C20H39NO4
SMILES
C1CCCC(CC1)OCC(CNCC(COC2CCCCCC2)O)O
InChI
InChI=1S/C20H39NO4/c22-17(15-24-19-9-5-1-2-6-10-19)13-21-14-18(23)16-25-20-11-7-3-4-8-12-20/h17-23H,1-16H2
InChIKey
IPZSYIUKLKYLAJ-UHFFFAOYSA-N
Compound name
1-cycloheptyloxy-3-[(3-cycloheptyloxy-2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2879 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.29518 185.6
[M+Na]+ 380.27712 181.9
[M-H]- 356.28062 188.8
[M+NH4]+ 375.32172 193.6
[M+K]+ 396.25106 185.4
[M+H-H2O]+ 340.28516 179.7
[M+HCOO]- 402.28610 195.1
[M+CH3COO]- 416.30175 217.1
[M+Na-2H]- 378.26257 182.1
[M]+ 357.28735 175.0
[M]- 357.28845 175.0
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

No patent data available for this compound.