CID 71299233

Methyl 6-{bis[(tert-butoxy)carbonyl]amino}-5-bromopyridine-3-carboxylate

Structural Information

Molecular Formula
C17H23BrN2O6
SMILES
CC(C)(C)OC(=O)N(C1=C(C=C(C=N1)C(=O)OC)Br)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H23BrN2O6/c1-16(2,3)25-14(22)20(15(23)26-17(4,5)6)12-11(18)8-10(9-19-12)13(21)24-7/h8-9H,1-7H3
InChIKey
ZXXWHLITCFFHLA-UHFFFAOYSA-N
Compound name
methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-bromopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.07394 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.08122 186.2
[M+Na]+ 453.06316 194.7
[M-H]- 429.06666 192.4
[M+NH4]+ 448.10776 199.4
[M+K]+ 469.03710 187.2
[M+H-H2O]+ 413.07120 184.4
[M+HCOO]- 475.07214 201.8
[M+CH3COO]- 489.08779 224.7
[M+Na-2H]- 451.04861 189.1
[M]+ 430.07339 211.6
[M]- 430.07449 211.6
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.