CID 132347036

2137822-79-6

Structural Information

Molecular Formula
C10H8BrN3O3
SMILES
C1=COC(=C1)CNC2=NC=C(C(=N2)C(=O)O)Br
InChI
InChI=1S/C10H8BrN3O3/c11-7-5-13-10(14-8(7)9(15)16)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H,15,16)(H,12,13,14)
InChIKey
QFDCTSCBVSOBFL-UHFFFAOYSA-N
Compound name
5-bromo-2-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.9749 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.98218 154.4
[M+Na]+ 319.96412 165.6
[M-H]- 295.96762 161.0
[M+NH4]+ 315.00872 170.1
[M+K]+ 335.93806 155.4
[M+H-H2O]+ 279.97216 152.3
[M+HCOO]- 341.97310 174.2
[M+CH3COO]- 355.98875 195.9
[M+Na-2H]- 317.94957 161.0
[M]+ 296.97435 174.1
[M]- 296.97545 174.1
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.