CID 151457

Nsc 282192

Structural Information

Molecular Formula
C30H60N4O4
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)OCC
InChI
InChI=1S/C30H60N4O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-28(35)33-26(21-17-19-24-31)29(36)34-27(22-18-20-25-32)30(37)38-4-2/h26-27H,3-25,31-32H2,1-2H3,(H,33,35)(H,34,36)/t26-,27-/m0/s1
InChIKey
GZFBVRQOWKONCB-SVBPBHIXSA-N
Compound name
ethyl (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

540.4615 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.46878 249.5
[M+Na]+ 563.45072 261.5
[M-H]- 539.45422 248.9
[M+NH4]+ 558.49532 250.5
[M+K]+ 579.42466 256.8
[M+H-H2O]+ 523.45876 247.2
[M+HCOO]- 585.45970 241.5
[M+CH3COO]- 599.47535 264.7
[M+Na-2H]- 561.43617 236.1
[M]+ 540.46095 238.4
[M]- 540.46205 238.4
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.