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]+ 249.14585 153.9
[M+Na]+ 271.12779 163.0
[M-H]- 247.13129 157.5
[M+NH4]+ 266.17239 168.4
[M+K]+ 287.10173 160.3
[M+H-H2O]+ 231.13583 144.5
[M+HCOO]- 293.13677 174.7
[M+CH3COO]- 307.15242 165.6
[M+Na-2H]- 269.11324 158.3
[M]+ 248.13802 154.0
[M]- 248.13912 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.