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]+ 219.13527 151.8
[M+Na]+ 241.11721 161.1
[M-H]- 217.12071 150.1
[M+NH4]+ 236.16181 163.9
[M+K]+ 257.09115 155.6
[M+H-H2O]+ 201.12525 140.8
[M+HCOO]- 263.12619 165.4
[M+CH3COO]- 277.14184 161.7
[M+Na-2H]- 239.10266 157.4
[M]+ 218.12744 148.2
[M]- 218.12854 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.