CID 470093

Nsc630091

Structural Information

Molecular Formula
C18H32N2O6
SMILES
CCC(COC(=O)C)N(CCN(C(CC)COC(=O)C)C(=O)C)C(=O)C
InChI
InChI=1S/C18H32N2O6/c1-7-17(11-25-15(5)23)19(13(3)21)9-10-20(14(4)22)18(8-2)12-26-16(6)24/h17-18H,7-12H2,1-6H3
InChIKey
CUKUHXALKCPWNK-UHFFFAOYSA-N
Compound name
2-[acetyl-[2-[acetyl(1-acetyloxybutan-2-yl)amino]ethyl]amino]butyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.22604 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23332 192.7
[M+Na]+ 395.21526 220.9
[M-H]- 371.21876 213.1
[M+NH4]+ 390.25986 222.0
[M+K]+ 411.18920 197.1
[M+H-H2O]+ 355.22330 185.2
[M+HCOO]- 417.22424 205.3
[M+CH3COO]- 431.23989 230.8
[M+Na-2H]- 393.20071 186.0
[M]+ 372.22549 205.3
[M]- 372.22659 205.3
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.