CID 59208425

1031432-73-1

Structural Information

Molecular Formula
C9H11BrN4O2
SMILES
CCNC(=O)NC1=NC=C(C(=C1)C(=O)N)Br
InChI
InChI=1S/C9H11BrN4O2/c1-2-12-9(16)14-7-3-5(8(11)15)6(10)4-13-7/h3-4H,2H2,1H3,(H2,11,15)(H2,12,13,14,16)
InChIKey
KAWNQUVEXZRMHM-UHFFFAOYSA-N
Compound name
5-bromo-2-(ethylcarbamoylamino)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

286.00653 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.01381 152.4
[M+Na]+ 308.99575 161.6
[M-H]- 284.99925 156.8
[M+NH4]+ 304.04035 169.1
[M+K]+ 324.96969 150.0
[M+H-H2O]+ 269.00379 149.2
[M+HCOO]- 331.00473 173.9
[M+CH3COO]- 345.02038 202.8
[M+Na-2H]- 306.98120 157.5
[M]+ 286.00598 168.5
[M]- 286.00708 168.5
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