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]+ 207.13527 145.6
[M+Na]+ 229.11721 156.7
[M-H]- 205.12071 145.6
[M+NH4]+ 224.16181 162.1
[M+K]+ 245.09115 152.7
[M+H-H2O]+ 189.12525 136.8
[M+HCOO]- 251.12619 168.4
[M+CH3COO]- 265.14184 158.1
[M+Na-2H]- 227.10266 153.1
[M]+ 206.12744 147.4
[M]- 206.12854 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.