CID 6451968

43161-98-4

Structural Information

Molecular Formula
C40H79N5O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCC(NC(CNC(=O)CCCCCCCCCCCCCCC)N1CC1)N2CC2
InChI
InChI=1S/C40H79N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(46)41-35-37(44-31-32-44)43-38(45-33-34-45)36-42-40(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,43H,3-36H2,1-2H3,(H,41,46)(H,42,47)
InChIKey
XZGJNRRKUALFFZ-UHFFFAOYSA-N
Compound name
N-[2-(aziridin-1-yl)-2-[[1-(aziridin-1-yl)-2-(hexadecanoylamino)ethyl]amino]ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.62335 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.63063 286.3
[M+Na]+ 684.61257 299.3
[M-H]- 660.61607 277.8
[M+NH4]+ 679.65717 288.4
[M+K]+ 700.58651 295.8
[M+H-H2O]+ 644.62061 287.2
[M+HCOO]- 706.62155 286.7
[M+CH3COO]- 720.63720 280.9
[M+Na-2H]- 682.59802 274.6
[M]+ 661.62280 292.0
[M]- 661.62390 292.0
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.