CID 54593562

6-bromopyrazolo[1,5-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C7H4BrN3O
SMILES
C1=C(C=NC2=C(C=NN21)C=O)Br
InChI
InChI=1S/C7H4BrN3O/c8-6-2-9-7-5(4-12)1-10-11(7)3-6/h1-4H
InChIKey
QNBGYVMMIRJOEU-UHFFFAOYSA-N
Compound name
6-bromopyrazolo[1,5-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

224.95377 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96105 133.9
[M+Na]+ 247.94299 149.7
[M-H]- 223.94649 138.5
[M+NH4]+ 242.98759 155.3
[M+K]+ 263.91693 138.8
[M+H-H2O]+ 207.95103 133.4
[M+HCOO]- 269.95197 155.6
[M+CH3COO]- 283.96762 150.3
[M+Na-2H]- 245.92844 144.3
[M]+ 224.95322 155.7
[M]- 224.95432 155.7
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