CID 3054735

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

Structural Information

Molecular Formula
C8H10N6
SMILES
C=CCNC1=NC(=NC2=CC=NN21)N
InChI
InChI=1S/C8H10N6/c1-2-4-10-8-13-7(9)12-6-3-5-11-14(6)8/h2-3,5H,1,4H2,(H3,9,10,12,13)
InChIKey
KLNKWWWYBFDJPN-UHFFFAOYSA-N
Compound name
4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0967 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.103976 139.2
[M+Na]+ 213.085918 150.0
[M-H]- 189.089424 139.0
[M+NH4]+ 208.130523 155.9
[M+K]+ 229.059858 145.7
[M+H-H2O]+ 173.093960 130.3
[M+HCOO]- 235.094901 162.6
[M+CH3COO]- 249.110551 151.9
[M+Na-2H]- 211.071366 148.0
[M]+ 190.09615142 139.6
[M]- 190.09724858 139.6
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.