CID 57348752

151807-53-3

Structural Information

Molecular Formula
C20H21NO4
SMILES
C1C(C(C1N)COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO4/c21-18-11-16(12-24-19(22)14-7-3-1-4-8-14)17(18)13-25-20(23)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2
InChIKey
GXQAOHQUDDYVJS-UHFFFAOYSA-N
Compound name
[3-amino-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.154336 179.9
[M+Na]+ 362.136278 182.4
[M-H]- 338.139784 187.8
[M+NH4]+ 357.180883 185.4
[M+K]+ 378.110218 182.8
[M+H-H2O]+ 322.144320 164.7
[M+HCOO]- 384.145261 199.6
[M+CH3COO]- 398.160911 214.5
[M+Na-2H]- 360.121726 179.6
[M]+ 339.14651142 188.3
[M]- 339.14760858 188.3
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.