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]+ 193.119626 140.9
[M+Na]+ 215.101568 152.5
[M-H]- 191.105074 141.6
[M+NH4]+ 210.146173 158.2
[M+K]+ 231.075508 149.0
[M+H-H2O]+ 175.109610 132.3
[M+HCOO]- 237.110551 164.7
[M+CH3COO]- 251.126201 154.2
[M+Na-2H]- 213.087016 150.0
[M]+ 192.11180142 143.4
[M]- 192.11289858 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.