CID 40136

(1,2,4)triazolo(1,5-a)pyrimidin-7-amine, n-ethyl-5-methyl-

Structural Information

Molecular Formula
C8H11N5
SMILES
CCNC1=CC(=NC2=NC=NN12)C
InChI
InChI=1S/C8H11N5/c1-3-9-7-4-6(2)12-8-10-5-11-13(7)8/h4-5,9H,3H2,1-2H3
InChIKey
JDYRAZLWDUVBMX-UHFFFAOYSA-N
Compound name
N-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

177.10144 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10872 136.8
[M+Na]+ 200.09066 148.3
[M-H]- 176.09416 137.0
[M+NH4]+ 195.13526 154.7
[M+K]+ 216.06460 145.0
[M+H-H2O]+ 160.09870 128.2
[M+HCOO]- 222.09964 159.5
[M+CH3COO]- 236.11529 150.2
[M+Na-2H]- 198.07611 146.0
[M]+ 177.10089 139.5
[M]- 177.10199 139.5
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