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

0
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 192.0
[M+Na]+ 448.08425 199.5
[M-H]- 424.08775 199.2
[M+NH4]+ 443.12885 204.5
[M+K]+ 464.05819 191.0
[M+H-H2O]+ 408.09229 190.4
[M+HCOO]- 470.09323 201.1
[M+CH3COO]- 484.10888 216.2
[M+Na-2H]- 446.06970 193.8
[M]+ 425.09448 208.9
[M]- 425.09558 208.9
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

No patent data available for this compound.