CID 3054731

7-methyl-n(sup 4)-propylpyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine hydrochloride

Structural Information

Molecular Formula
C9H14N6
SMILES
CCCNC1=NC(=NC2=CC(=NN21)C)N
InChI
InChI=1S/C9H14N6/c1-3-4-11-9-13-8(10)12-7-5-6(2)14-15(7)9/h5H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKey
ZEEAKGZLTVPBKM-UHFFFAOYSA-N
Compound name
7-methyl-4-N-propylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.12799 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.135266 145.6
[M+Na]+ 229.117208 156.7
[M-H]- 205.120714 145.6
[M+NH4]+ 224.161813 162.1
[M+K]+ 245.091148 152.7
[M+H-H2O]+ 189.125250 136.8
[M+HCOO]- 251.126191 168.4
[M+CH3COO]- 265.141841 158.1
[M+Na-2H]- 227.102656 153.1
[M]+ 206.12744142 147.4
[M]- 206.12853858 147.4
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.