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

13
Patents

303.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 171.7
[M+Na]+ 326.13628 175.4
[M-H]- 302.13978 176.1
[M+NH4]+ 321.18088 178.7
[M+K]+ 342.11022 176.7
[M+H-H2O]+ 286.14432 158.5
[M+HCOO]- 348.14526 188.3
[M+CH3COO]- 362.16091 204.3
[M+Na-2H]- 324.12173 173.0
[M]+ 303.14651 182.3
[M]- 303.14761 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