CID 71305760

1251003-11-8

Structural Information

Molecular Formula
C9H8BrN3O2
SMILES
CCOC(=O)C1=C2N=CC(=CN2C=N1)Br
InChI
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8-11-3-6(10)4-13(8)5-12-7/h3-5H,2H2,1H3
InChIKey
FTBIIQQYFCUUKD-UHFFFAOYSA-N
Compound name
ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

268.97998 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.987256 146.4
[M+Na]+ 291.969198 160.8
[M-H]- 267.972704 150.8
[M+NH4]+ 287.013803 165.9
[M+K]+ 307.943138 150.4
[M+H-H2O]+ 251.977240 145.3
[M+HCOO]- 313.978181 166.5
[M+CH3COO]- 327.993831 192.2
[M+Na-2H]- 289.954646 154.6
[M]+ 268.97943142 169.4
[M]- 268.98052858 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

patents stripe