CID 2801513

Ccg-53195

Structural Information

Molecular Formula
C20H21NO5
SMILES
CCOC(=O)C(CC1=CC(=CC=C1)C(=O)OC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H21NO5/c1-3-26-20(24)17(21-18(22)15-9-5-4-6-10-15)13-14-8-7-11-16(12-14)19(23)25-2/h4-12,17H,3,13H2,1-2H3,(H,21,22)
InChIKey
ZZRLJCSGHKQEQV-UHFFFAOYSA-N
Compound name
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

355.14197 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.149246 184.4
[M+Na]+ 378.131188 187.7
[M-H]- 354.134694 190.3
[M+NH4]+ 373.175793 195.9
[M+K]+ 394.105128 186.0
[M+H-H2O]+ 338.139230 175.3
[M+HCOO]- 400.140171 205.3
[M+CH3COO]- 414.155821 215.5
[M+Na-2H]- 376.116636 184.3
[M]+ 355.14142142 187.5
[M]- 355.14251858 187.5
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.