CID 3054718

Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, hydrochloride, hydrate (2:2:1)

Structural Information

Molecular Formula
C5H6N6
SMILES
C1=C2N=C(N=C(N2N=C1)N)N
InChI
InChI=1S/C5H6N6/c6-4-9-3-1-2-8-11(3)5(7)10-4/h1-2H,(H4,6,7,9,10)
InChIKey
XSCVJHCFMXPRNY-UHFFFAOYSA-N
Compound name
pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

150.0654 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07268 126.7
[M+Na]+ 173.05462 138.7
[M-H]- 149.05812 126.6
[M+NH4]+ 168.09922 144.9
[M+K]+ 189.02856 135.4
[M+H-H2O]+ 133.06266 118.6
[M+HCOO]- 195.06360 150.3
[M+CH3COO]- 209.07925 140.5
[M+Na-2H]- 171.04007 136.2
[M]+ 150.06485 125.8
[M]- 150.06595 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe