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

102
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 176.7
[M+Na]+ 395.05770 185.7
[M-H]- 371.06120 182.9
[M+NH4]+ 390.10230 192.2
[M+K]+ 411.03164 177.1
[M+H-H2O]+ 355.06574 175.2
[M+HCOO]- 417.06668 193.4
[M+CH3COO]- 431.08233 214.6
[M+Na-2H]- 393.04315 181.5
[M]+ 372.06793 199.9
[M]- 372.06903 199.9
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

patents stripe