CID 12656260

Carbamic acid, (5-bromo-2,4-pyridinediyl)bis-, diethyl ester

Structural Information

Molecular Formula
C11H14BrN3O4
SMILES
CCOC(=O)NC1=CC(=NC=C1Br)NC(=O)OCC
InChI
InChI=1S/C11H14BrN3O4/c1-3-18-10(16)14-8-5-9(13-6-7(8)12)15-11(17)19-4-2/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
SXBGRIYLUCNPLL-UHFFFAOYSA-N
Compound name
ethyl N-[5-bromo-2-(ethoxycarbonylamino)-4-pyridinyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.01678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.024056 162.0
[M+Na]+ 354.005998 171.1
[M-H]- 330.009504 166.7
[M+NH4]+ 349.050603 177.7
[M+K]+ 369.979938 160.8
[M+H-H2O]+ 314.014040 158.9
[M+HCOO]- 376.014981 183.1
[M+CH3COO]- 390.030631 206.8
[M+Na-2H]- 351.991446 167.0
[M]+ 331.01623142 183.1
[M]- 331.01732858 183.1
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.