CID 265224

Nsc101068

Structural Information

Molecular Formula
C23H35NO8
SMILES
CC(=O)NC1=C(C(=C(C=C1CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC)OC)OC
InChI
InChI=1S/C23H35NO8/c1-13(25)24-17-14(12-16(28-8)18(29-9)19(17)30-10)11-15(20(26)31-22(2,3)4)21(27)32-23(5,6)7/h12,15H,11H2,1-10H3,(H,24,25)
InChIKey
QVGAMOFSYAGTGJ-UHFFFAOYSA-N
Compound name
ditert-butyl 2-[(2-acetamido-3,4,5-trimethoxyphenyl)methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.23627 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.24355 203.9
[M+Na]+ 476.22549 207.9
[M-H]- 452.22899 207.2
[M+NH4]+ 471.27009 214.3
[M+K]+ 492.19943 210.0
[M+H-H2O]+ 436.23353 197.2
[M+HCOO]- 498.23447 215.9
[M+CH3COO]- 512.25012 238.2
[M+Na-2H]- 474.21094 201.8
[M]+ 453.23572 215.3
[M]- 453.23682 215.3
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.