CID 19614685

1006323-05-2

Structural Information

Molecular Formula
C12H16F3N5
SMILES
CC1=NN(C=C1C2=NN(C(=C2)C(F)(F)F)CCCN)C
InChI
InChI=1S/C12H16F3N5/c1-8-9(7-19(2)17-8)10-6-11(12(13,14)15)20(18-10)5-3-4-16/h6-7H,3-5,16H2,1-2H3
InChIKey
AGMOSJYWQOHDOY-UHFFFAOYSA-N
Compound name
3-[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.13577 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14305 161.9
[M+Na]+ 310.12499 173.5
[M-H]- 286.12849 161.0
[M+NH4]+ 305.16959 176.2
[M+K]+ 326.09893 168.6
[M+H-H2O]+ 270.13303 150.8
[M+HCOO]- 332.13397 180.3
[M+CH3COO]- 346.14962 203.6
[M+Na-2H]- 308.11044 162.4
[M]+ 287.13522 161.4
[M]- 287.13632 161.4
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.