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]+ 193.119626 142.6
[M+Na]+ 215.101568 155.1
[M-H]- 191.105074 142.8
[M+NH4]+ 210.146173 159.7
[M+K]+ 231.075508 151.0
[M+H-H2O]+ 175.109610 134.5
[M+HCOO]- 237.110551 165.1
[M+CH3COO]- 251.126201 155.7
[M+Na-2H]- 213.087016 148.7
[M]+ 192.11180142 143.5
[M]- 192.11289858 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.