CID 3041964

58892-52-7

Structural Information

Molecular Formula
C11H17F3N6
SMILES
CN1CCN(CC1)C2=NC(=NC(=N2)C(F)(F)F)N(C)C
InChI
InChI=1S/C11H17F3N6/c1-18(2)9-15-8(11(12,13)14)16-10(17-9)20-6-4-19(3)5-7-20/h4-7H2,1-3H3
InChIKey
UGNSPHRXRIHDQG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

290.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15395 169.4
[M+Na]+ 313.13589 177.2
[M-H]- 289.13939 166.7
[M+NH4]+ 308.18049 178.5
[M+K]+ 329.10983 173.4
[M+H-H2O]+ 273.14393 156.0
[M+HCOO]- 335.14487 180.2
[M+CH3COO]- 349.16052 207.6
[M+Na-2H]- 311.12134 172.4
[M]+ 290.14612 163.5
[M]- 290.14722 163.5
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.