CID 16767712

1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine dihydrochloride

Structural Information

Molecular Formula
C10H14N6
SMILES
CC1=NC2=NC=NN2C(=C1)N3CCNCC3
InChI
InChI=1S/C10H14N6/c1-8-6-9(15-4-2-11-3-5-15)16-10(14-8)12-7-13-16/h6-7,11H,2-5H2,1H3
InChIKey
JCJOZXJNOUQJOT-UHFFFAOYSA-N
Compound name
5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12799 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.135266 151.8
[M+Na]+ 241.117208 161.1
[M-H]- 217.120714 150.1
[M+NH4]+ 236.161813 163.9
[M+K]+ 257.091148 155.6
[M+H-H2O]+ 201.125250 140.8
[M+HCOO]- 263.126191 165.4
[M+CH3COO]- 277.141841 161.7
[M+Na-2H]- 239.102656 157.4
[M]+ 218.12744142 148.2
[M]- 218.12853858 148.2
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.