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]+ 191.10398 139.2
[M+Na]+ 213.08592 150.0
[M-H]- 189.08942 139.0
[M+NH4]+ 208.13052 155.9
[M+K]+ 229.05986 145.7
[M+H-H2O]+ 173.09396 130.3
[M+HCOO]- 235.09490 162.6
[M+CH3COO]- 249.11055 151.9
[M+Na-2H]- 211.07137 148.0
[M]+ 190.09615 139.6
[M]- 190.09725 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.