CID 361954

Nsc625419

Structural Information

Molecular Formula
C40H84N2O2
SMILES
CCCCCCCCCCCCCCCCOCC(CN(C)CCN(C)C)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H84N2O2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-43-39-40(38-42(5)35-34-41(3)4)44-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3
InChIKey
AVNACAYMPJTAAR-UHFFFAOYSA-N
Compound name
N'-(2,3-dihexadecoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.65326 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.66054 289.6
[M+Na]+ 647.64248 298.5
[M-H]- 623.64598 275.9
[M+NH4]+ 642.68708 293.4
[M+K]+ 663.61642 300.7
[M+H-H2O]+ 607.65052 289.8
[M+HCOO]- 669.65146 288.7
[M+CH3COO]- 683.66711 286.9
[M+Na-2H]- 645.62793 271.8
[M]+ 624.65271 287.8
[M]- 624.65381 287.8
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.