CID 71299233

1393845-63-0

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 182.1
[M+Na]+ 453.06316 180.7
[M+NH4]+ 448.10776 181.7
[M+K]+ 469.03710 185.8
[M-H]- 429.06666 178.4
[M+Na-2H]- 451.04861 181.3
[M]+ 430.07339 179.3
[M]- 430.07449 179.3
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.