CID 3054724

2,4-bis(methylamino)-7-methylpyrazolo(1,5-a)-s-triazine

Structural Information

Molecular Formula
C8H12N6
SMILES
CC1=NN2C(=C1)N=C(N=C2NC)NC
InChI
InChI=1S/C8H12N6/c1-5-4-6-11-7(9-2)12-8(10-3)14(6)13-5/h4H,1-3H3,(H2,9,10,11,12)
InChIKey
SLOMQRDGYPWRDX-UHFFFAOYSA-N
Compound name
2-N,4-N,7-trimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.11963 140.9
[M+Na]+ 215.10157 152.5
[M-H]- 191.10507 141.6
[M+NH4]+ 210.14617 158.2
[M+K]+ 231.07551 149.0
[M+H-H2O]+ 175.10961 132.3
[M+HCOO]- 237.11055 164.7
[M+CH3COO]- 251.12620 154.2
[M+Na-2H]- 213.08702 150.0
[M]+ 192.11180 143.4
[M]- 192.11290 143.4
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.