CID 145915431

2402828-75-3

Structural Information

Molecular Formula
C16H22BrN3O3
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C2=CN=C(C=C2)Br
InChI
InChI=1S/C16H22BrN3O3/c1-16(2,3)23-15(22)19-12-6-8-20(9-7-12)14(21)11-4-5-13(17)18-10-11/h4-5,10,12H,6-9H2,1-3H3,(H,19,22)
InChIKey
FNFURISCGJWOMX-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(6-bromopyridine-3-carbonyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.08444 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09172 181.4
[M+Na]+ 406.07366 188.1
[M-H]- 382.07716 186.9
[M+NH4]+ 401.11826 193.9
[M+K]+ 422.04760 177.4
[M+H-H2O]+ 366.08170 178.6
[M+HCOO]- 428.08264 194.5
[M+CH3COO]- 442.09829 214.0
[M+Na-2H]- 404.05911 184.3
[M]+ 383.08389 197.5
[M]- 383.08499 197.5
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.