CID 3054721

2,4-diamino-7-ethyl-8-methyl-pyrazolo(1,5-a)-s-triazine hydrochloride hydrate

Structural Information

Molecular Formula
C8H12N6
SMILES
CCC1=NN2C(=C1C)N=C(N=C2N)N
InChI
InChI=1S/C8H12N6/c1-3-5-4(2)6-11-7(9)12-8(10)14(6)13-5/h3H2,1-2H3,(H4,9,10,11,12)
InChIKey
RDJJWTVPRPGHSA-UHFFFAOYSA-N
Compound name
7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.11235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.11963 142.6
[M+Na]+ 215.10157 155.1
[M-H]- 191.10507 142.8
[M+NH4]+ 210.14617 159.7
[M+K]+ 231.07551 151.0
[M+H-H2O]+ 175.10961 134.5
[M+HCOO]- 237.11055 165.1
[M+CH3COO]- 251.12620 155.7
[M+Na-2H]- 213.08702 148.7
[M]+ 192.11180 143.5
[M]- 192.11290 143.5
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.