CID 86811690

1803588-48-8

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(=CC(=O)OCC2=CC=CC=C2)C1
InChI
InChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18-10-14(11-18)9-15(19)21-12-13-7-5-4-6-8-13/h4-9H,10-12H2,1-3H3
InChIKey
GSHKODJJOFCOBY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-oxo-2-phenylmethoxyethylidene)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

303.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 171.7
[M+Na]+ 326.136278 175.4
[M-H]- 302.139784 176.1
[M+NH4]+ 321.180883 178.7
[M+K]+ 342.110218 176.7
[M+H-H2O]+ 286.144320 158.5
[M+HCOO]- 348.145261 188.3
[M+CH3COO]- 362.160911 204.3
[M+Na-2H]- 324.121726 173.0
[M]+ 303.14651142 182.3
[M]- 303.14760858 182.3
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

patents stripe