CID 3054729

7-methyl-n(sup 4)-((tetrahydro-2-furanyl)methyl)pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C11H16N6O
SMILES
CC1=NN2C(=C1)N=C(N=C2NCC3CCCO3)N
InChI
InChI=1S/C11H16N6O/c1-7-5-9-14-10(12)15-11(17(9)16-7)13-6-8-3-2-4-18-8/h5,8H,2-4,6H2,1H3,(H3,12,13,14,15)
InChIKey
YWPPWIJCASWLRQ-UHFFFAOYSA-N
Compound name
7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13857 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.145846 153.9
[M+Na]+ 271.127788 163.0
[M-H]- 247.131294 157.5
[M+NH4]+ 266.172393 168.4
[M+K]+ 287.101728 160.3
[M+H-H2O]+ 231.135830 144.5
[M+HCOO]- 293.136771 174.7
[M+CH3COO]- 307.152421 165.6
[M+Na-2H]- 269.113236 158.3
[M]+ 248.13802142 154.0
[M]- 248.13911858 154.0
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.