CID 57500639

Methyl 5-bromo-2-(methylamino)pyrimidine-4-carboxylate

Structural Information

Molecular Formula
C7H8BrN3O2
SMILES
CNC1=NC=C(C(=N1)C(=O)OC)Br
InChI
InChI=1S/C7H8BrN3O2/c1-9-7-10-3-4(8)5(11-7)6(12)13-2/h3H,1-2H3,(H,9,10,11)
InChIKey
SPAHRPKPEPZZFG-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2-(methylamino)pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

244.98 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.98728 139.4
[M+Na]+ 267.96922 151.5
[M-H]- 243.97272 143.7
[M+NH4]+ 263.01382 157.9
[M+K]+ 283.94316 141.2
[M+H-H2O]+ 227.97726 137.8
[M+HCOO]- 289.97820 160.2
[M+CH3COO]- 303.99385 191.1
[M+Na-2H]- 265.95467 147.6
[M]+ 244.97945 159.5
[M]- 244.98055 159.5
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