CID 16217971

6-(di-boc-amino)-2-bromopyridine

Structural Information

Molecular Formula
C15H21BrN2O4
SMILES
CC(C)(C)OC(=O)N(C1=NC(=CC=C1)Br)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H21BrN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-9-7-8-10(16)17-11/h7-9H,1-6H3
InChIKey
MRXCEYKGPXZUBZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-bromopyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

372.06848 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07576 172.6
[M+Na]+ 395.05770 172.2
[M+NH4]+ 390.10230 173.9
[M+K]+ 411.03164 175.9
[M-H]- 371.06120 170.1
[M+Na-2H]- 393.04315 173.3
[M]+ 372.06793 170.4
[M]- 372.06903 170.4
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