CID 3041967

1,3,5-triazine-2,4-diamine, n-(3-(4-methyl-1-piperazinyl)propyl)-6-(trifluoromethyl)-

Structural Information

Molecular Formula
C12H20F3N7
SMILES
CN1CCN(CC1)CCCNC2=NC(=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C12H20F3N7/c1-21-5-7-22(8-6-21)4-2-3-17-11-19-9(12(13,14)15)18-10(16)20-11/h2-8H2,1H3,(H3,16,17,18,19,20)
InChIKey
LLXVLVYLHQHAOZ-UHFFFAOYSA-N
Compound name
2-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18050 177.4
[M+Na]+ 342.16244 183.7
[M-H]- 318.16594 172.6
[M+NH4]+ 337.20704 184.1
[M+K]+ 358.13638 178.0
[M+H-H2O]+ 302.17048 163.8
[M+HCOO]- 364.17142 187.9
[M+CH3COO]- 378.18707 211.7
[M+Na-2H]- 340.14789 180.3
[M]+ 319.17267 169.0
[M]- 319.17377 169.0
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.