CID 19614643

1006336-71-5

Structural Information

Molecular Formula
C11H14F3N5
SMILES
CN1C=C(C=N1)C2=NN(C(=C2)C(F)(F)F)CCCN
InChI
InChI=1S/C11H14F3N5/c1-18-7-8(6-16-18)9-5-10(11(12,13)14)19(17-9)4-2-3-15/h5-7H,2-4,15H2,1H3
InChIKey
KUIDMQBUDJMMNT-UHFFFAOYSA-N
Compound name
3-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.12012 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12740 156.7
[M+Na]+ 296.10934 167.8
[M-H]- 272.11284 155.6
[M+NH4]+ 291.15394 171.3
[M+K]+ 312.08328 163.3
[M+H-H2O]+ 256.11738 145.4
[M+HCOO]- 318.11832 175.4
[M+CH3COO]- 332.13397 199.5
[M+Na-2H]- 294.09479 158.5
[M]+ 273.11957 155.5
[M]- 273.12067 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.