CID 3054728

Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, 7-methyl-n(sup 4)-2-propenyl-, hydrochloride, hydrate (1:1:1)

Structural Information

Molecular Formula
C9H12N6
SMILES
CC1=NN2C(=C1)N=C(N=C2NCC=C)N
InChI
InChI=1S/C9H12N6/c1-3-4-11-9-13-8(10)12-7-5-6(2)14-15(7)9/h3,5H,1,4H2,2H3,(H3,10,11,12,13)
InChIKey
NJRRDKYBOHUAAV-UHFFFAOYSA-N
Compound name
7-methyl-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

204.11235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.119626 144.8
[M+Na]+ 227.101568 156.2
[M-H]- 203.105074 144.9
[M+NH4]+ 222.146173 161.3
[M+K]+ 243.075508 151.6
[M+H-H2O]+ 187.109610 136.1
[M+HCOO]- 249.110551 167.8
[M+CH3COO]- 263.126201 157.4
[M+Na-2H]- 225.087016 152.3
[M]+ 204.11180142 145.9
[M]- 204.11289858 145.9
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.