CID 469954

1-butanol, 2,2'-[1,2-ethanediylbis[(acetyloxy)imino]]bis-, diacetate (ester), d-

Structural Information

Molecular Formula
C18H32N2O8
SMILES
CCC(COC(=O)C)N(CCN(C(CC)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H32N2O8/c1-7-17(11-25-13(3)21)19(27-15(5)23)9-10-20(28-16(6)24)18(8-2)12-26-14(4)22/h17-18H,7-12H2,1-6H3
InChIKey
SMOXPBLBWFJPDX-UHFFFAOYSA-N
Compound name
2-[acetyloxy-[2-[acetyloxy(1-acetyloxybutan-2-yl)amino]ethyl]amino]butyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.21585 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.22313 211.6
[M+Na]+ 427.20507 226.1
[M-H]- 403.20857 220.6
[M+NH4]+ 422.24967 229.6
[M+K]+ 443.17901 219.9
[M+H-H2O]+ 387.21311 218.6
[M+HCOO]- 449.21405 211.4
[M+CH3COO]- 463.22970 234.8
[M+Na-2H]- 425.19052 207.2
[M]+ 404.21530 211.8
[M]- 404.21640 211.8
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

No patent data available for this compound.