CID 146081988

Tert-butyl 2-(6-bromopyridine-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate

Structural Information

Molecular Formula
C18H24BrN3O4
SMILES
CC(C)(C)OC(=O)N1CCOC2(C1)CCN(C2)C(=O)C3=CN=C(C=C3)Br
InChI
InChI=1S/C18H24BrN3O4/c1-17(2,3)26-16(24)22-8-9-25-18(12-22)6-7-21(11-18)15(23)13-4-5-14(19)20-10-13/h4-5,10H,6-9,11-12H2,1-3H3
InChIKey
WBFGHKZOWAITFK-UHFFFAOYSA-N
Compound name
tert-butyl 2-(6-bromopyridine-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

425.09503 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.10231 191.9
[M+Na]+ 448.08425 191.5
[M+NH4]+ 443.12885 194.4
[M+K]+ 464.05819 194.0
[M-H]- 424.08775 191.8
[M+Na-2H]- 446.06970 192.6
[M]+ 425.09448 190.5
[M]- 425.09558 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.