CID 3041955

58892-42-5

Structural Information

Molecular Formula
C9H13F3N6
SMILES
CN1CCN(CC1)C2=NC(=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C9H13F3N6/c1-17-2-4-18(5-3-17)8-15-6(9(10,11)12)14-7(13)16-8/h2-5H2,1H3,(H2,13,14,15,16)
InChIKey
MISRSLPWBGIAIF-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1154 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12268 162.1
[M+Na]+ 285.10462 170.7
[M-H]- 261.10812 157.8
[M+NH4]+ 280.14922 171.5
[M+K]+ 301.07856 165.6
[M+H-H2O]+ 245.11266 149.4
[M+HCOO]- 307.11360 172.5
[M+CH3COO]- 321.12925 197.8
[M+Na-2H]- 283.09007 165.7
[M]+ 262.11485 153.3
[M]- 262.11595 153.3
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.