CID 3054723

71680-67-6

Structural Information

Molecular Formula
C7H10N6
SMILES
CC1=NN2C(=C1)N=C(N=C2NC)N
InChI
InChI=1S/C7H10N6/c1-4-3-5-10-6(8)11-7(9-2)13(5)12-4/h3H,1-2H3,(H3,8,9,10,11)
InChIKey
DEAFNROHLSJJBF-UHFFFAOYSA-N
Compound name
4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0967 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.103976 136.7
[M+Na]+ 201.085918 148.7
[M-H]- 177.089424 137.1
[M+NH4]+ 196.130523 154.3
[M+K]+ 217.059858 145.2
[M+H-H2O]+ 161.093960 128.4
[M+HCOO]- 223.094901 160.2
[M+CH3COO]- 237.110551 150.1
[M+Na-2H]- 199.071366 145.2
[M]+ 178.09615142 137.9
[M]- 178.09724858 137.9
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.