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]+ 205.11963 144.8
[M+Na]+ 227.10157 156.2
[M-H]- 203.10507 144.9
[M+NH4]+ 222.14617 161.3
[M+K]+ 243.07551 151.6
[M+H-H2O]+ 187.10961 136.1
[M+HCOO]- 249.11055 167.8
[M+CH3COO]- 263.12620 157.4
[M+Na-2H]- 225.08702 152.3
[M]+ 204.11180 145.9
[M]- 204.11290 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.