CID 49767007

Nsc639941

Structural Information

Molecular Formula
C21H33NO7
SMILES
CC(=O)C(C(=O)C(=O)OC)C(C)(C)[C@@H]1[C@H](N([C@H](O1)C(C)(C)C)C(=O)OC)CC=C
InChI
InChI=1S/C21H33NO7/c1-10-11-13-16(29-18(20(3,4)5)22(13)19(26)28-9)21(6,7)14(12(2)23)15(24)17(25)27-8/h10,13-14,16,18H,1,11H2,2-9H3/t13-,14?,16+,18-/m1/s1
InChIKey
XXACLLRSPGGQLD-DFCDGCKZSA-N
Compound name
methyl (2R,4R,5R)-5-(3-acetyl-5-methoxy-2-methyl-4,5-dioxopentan-2-yl)-2-tert-butyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.2257 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.23298 192.0
[M+Na]+ 434.21492 195.7
[M-H]- 410.21842 194.3
[M+NH4]+ 429.25952 210.1
[M+K]+ 450.18886 197.3
[M+H-H2O]+ 394.22296 187.5
[M+HCOO]- 456.22390 203.0
[M+CH3COO]- 470.23955 227.1
[M+Na-2H]- 432.20037 187.8
[M]+ 411.22515 198.9
[M]- 411.22625 198.9
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.