CID 70663143

Tert-butyl 5'-acetyl-3'h-spiro[azetidine-3,1'-isobenzofuran]-1-carboxylate

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC(=O)C1=CC2=C(C=C1)C3(CN(C3)C(=O)OC(C)(C)C)OC2
InChI
InChI=1S/C17H21NO4/c1-11(19)12-5-6-14-13(7-12)8-21-17(14)9-18(10-17)15(20)22-16(2,3)4/h5-7H,8-10H2,1-4H3
InChIKey
GQZFZXWGEAPBCX-UHFFFAOYSA-N
Compound name
tert-butyl 6-acetylspiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

303.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 169.0
[M+Na]+ 326.136278 174.8
[M-H]- 302.139784 174.8
[M+NH4]+ 321.180883 180.2
[M+K]+ 342.110218 177.1
[M+H-H2O]+ 286.144320 158.9
[M+HCOO]- 348.145261 183.6
[M+CH3COO]- 362.160911 205.6
[M+Na-2H]- 324.121726 172.1
[M]+ 303.14651142 180.7
[M]- 303.14760858 180.7
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