CID 86819571

Ethyl 3-bromoimidazo[1,5-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C9H8BrN3O2
SMILES
CCOC(=O)C1=NC=C2N1C=C(C=N2)Br
InChI
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)8-12-4-7-11-3-6(10)5-13(7)8/h3-5H,2H2,1H3
InChIKey
YLUKWNDHFDDSRE-UHFFFAOYSA-N
Compound name
ethyl 3-bromoimidazo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.97998 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98726 146.4
[M+Na]+ 291.96920 160.8
[M-H]- 267.97270 150.8
[M+NH4]+ 287.01380 165.9
[M+K]+ 307.94314 150.4
[M+H-H2O]+ 251.97724 145.3
[M+HCOO]- 313.97818 166.5
[M+CH3COO]- 327.99383 192.2
[M+Na-2H]- 289.95465 154.6
[M]+ 268.97943 169.4
[M]- 268.98053 169.4
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.