CID 71305372

1251000-16-4

Structural Information

Molecular Formula
C15H22BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CCN3C2=NC=C3Br
InChI
InChI=1S/C15H22BrN3O2/c1-14(2,3)21-13(20)18-7-4-15(5-8-18)6-9-19-11(16)10-17-12(15)19/h10H,4-9H2,1-3H3
InChIKey
OXFOHAHABIRBIO-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromospiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.08954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09682 181.2
[M+Na]+ 378.07876 191.4
[M-H]- 354.08226 186.5
[M+NH4]+ 373.12336 201.0
[M+K]+ 394.05270 181.4
[M+H-H2O]+ 338.08680 180.9
[M+HCOO]- 400.08774 193.3
[M+CH3COO]- 414.10339 205.6
[M+Na-2H]- 376.06421 183.2
[M]+ 355.08899 198.3
[M]- 355.09009 198.3
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

No patent data available for this compound.