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

33
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 141.1
[M+Na]+ 247.94299 146.0
[M+NH4]+ 242.98759 145.4
[M+K]+ 263.91693 147.1
[M-H]- 223.94649 140.2
[M+Na-2H]- 245.92844 144.6
[M]+ 224.95322 140.3
[M]- 224.95432 140.3
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