CID 19576915

1006349-20-7

Structural Information

Molecular Formula
C10H12F3N5
SMILES
CC1=CC(=NN1CN2C(=CC(=N2)N)C)C(F)(F)F
InChI
InChI=1S/C10H12F3N5/c1-6-3-8(10(11,12)13)15-17(6)5-18-7(2)4-9(14)16-18/h3-4H,5H2,1-2H3,(H2,14,16)
InChIKey
CAMUQVGVMQSONY-UHFFFAOYSA-N
Compound name
5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11178 152.9
[M+Na]+ 282.09372 165.4
[M-H]- 258.09722 152.3
[M+NH4]+ 277.13832 168.3
[M+K]+ 298.06766 161.0
[M+H-H2O]+ 242.10176 142.2
[M+HCOO]- 304.10270 171.9
[M+CH3COO]- 318.11835 197.8
[M+Na-2H]- 280.07917 154.5
[M]+ 259.10395 151.8
[M]- 259.10505 151.8
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.