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

0
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 146.5
[M+Na]+ 249.05135 159.7
[M-H]- 225.05485 146.5
[M+NH4]+ 244.09595 163.7
[M+K]+ 265.02529 155.2
[M+H-H2O]+ 209.05939 138.2
[M+HCOO]- 271.06033 163.1
[M+CH3COO]- 285.07598 159.7
[M+Na-2H]- 247.03680 153.2
[M]+ 226.06158 153.6
[M]- 226.06268 153.6
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.