CID 3054733

71680-76-7

Structural Information

Molecular Formula
C10H16N6
SMILES
CC1=NN2C(=C1)N=C(N=C2NC(C)(C)C)N
InChI
InChI=1S/C10H16N6/c1-6-5-7-12-8(11)13-9(16(7)15-6)14-10(2,3)4/h5H,1-4H3,(H3,11,12,13,14)
InChIKey
UHXXHFJXIMUOFU-UHFFFAOYSA-N
Compound name
4-N-tert-butyl-7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15093 153.1
[M+Na]+ 243.13287 164.2
[M-H]- 219.13637 153.5
[M+NH4]+ 238.17747 169.2
[M+K]+ 259.10681 160.5
[M+H-H2O]+ 203.14091 145.0
[M+HCOO]- 265.14185 173.9
[M+CH3COO]- 279.15750 195.0
[M+Na-2H]- 241.11832 160.7
[M]+ 220.14310 154.6
[M]- 220.14420 154.6
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.