CID 44146683

94023-35-5

Structural Information

Molecular Formula
C36H71N5O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(NC(CNC(=O)CCCCCCCCCCCCC)N1CC1)N2CC2
InChI
InChI=1S/C36H71N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(42)37-31-33(40-27-28-40)39-34(41-29-30-41)32-38-36(43)26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,39H,3-32H2,1-2H3,(H,37,42)(H,38,43)
InChIKey
DJAOCVYKCTXFCQ-UHFFFAOYSA-N
Compound name
N-[2-(aziridin-1-yl)-2-[[1-(aziridin-1-yl)-2-(tetradecanoylamino)ethyl]amino]ethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.5608 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.56808 245.6
[M+Na]+ 628.55002 240.5
[M-H]- 604.55352 267.3
[M+NH4]+ 623.59462 276.8
[M+K]+ 644.52396 232.8
[M+H-H2O]+ 588.55806 235.9
[M+HCOO]- 650.55900 276.4
[M+CH3COO]- 664.57465 271.9
[M+Na-2H]- 626.53547 236.9
[M]+ 605.56025 280.4
[M]- 605.56135 280.4
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.