CID 83096543

7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C9H11ClN4O
SMILES
CCCC1=NC2=NC(=NN2C(=C1)Cl)OC
InChI
InChI=1S/C9H11ClN4O/c1-3-4-6-5-7(10)14-8(11-6)12-9(13-14)15-2/h5H,3-4H2,1-2H3
InChIKey
HWFQZMDAFKWPCV-UHFFFAOYSA-N
Compound name
7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

226.06213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06941 146.0
[M+Na]+ 249.05135 161.4
[M+NH4]+ 244.09595 153.6
[M+K]+ 265.02529 156.1
[M-H]- 225.05485 146.1
[M+Na-2H]- 247.03680 152.3
[M]+ 226.06158 148.5
[M]- 226.06268 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.