CID 9916009

Amxt1501

Structural Information

Molecular Formula
C32H68N6O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)NCCCNCCCCNCCCN)N
InChI
InChI=1S/C32H68N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31(39)37-28-16-15-21-30(34)32(40)38-29-20-27-36-25-18-17-24-35-26-19-23-33/h30,35-36H,2-29,33-34H2,1H3,(H,37,39)(H,38,40)/t30-/m0/s1
InChIKey
USNCWPSRPOWEBG-PMERELPUSA-N
Compound name
N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

64
Patents

568.5404 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.54768 267.8
[M+Na]+ 591.52962 284.4
[M+NH4]+ 586.57422 270.6
[M+K]+ 607.50356 277.6
[M-H]- 567.53312 267.6
[M+Na-2H]- 589.51507 271.7
[M]+ 568.53985 270.3
[M]- 568.54095 270.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe