CID 2794762

Dtxsid80383388

Structural Information

Molecular Formula
C17H21BrN2O4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C3=C(O2)C=CC(=C3)Br
InChI
InChI=1S/C17H21BrN2O4/c1-16(2,3)24-15(22)20-8-6-17(7-9-20)19-14(21)12-10-11(18)4-5-13(12)23-17/h4-5,10H,6-9H2,1-3H3,(H,19,21)
InChIKey
FKBBJWUNJKLMBK-UHFFFAOYSA-N
Compound name
tert-butyl 6-bromo-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

396.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.07576 185.1
[M+Na]+ 419.05770 193.6
[M-H]- 395.06120 189.9
[M+NH4]+ 414.10230 198.9
[M+K]+ 435.03164 183.8
[M+H-H2O]+ 379.06574 183.9
[M+HCOO]- 441.06668 192.6
[M+CH3COO]- 455.08233 211.6
[M+Na-2H]- 417.04315 190.4
[M]+ 396.06793 200.9
[M]- 396.06903 200.9
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