CID 19576803

4-methyl-2-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine hydrochloride

Structural Information

Molecular Formula
C10H13F3N4
SMILES
CC1=CC(=NC(=N1)N2CCNCC2)C(F)(F)F
InChI
InChI=1S/C10H13F3N4/c1-7-6-8(10(11,12)13)16-9(15-7)17-4-2-14-3-5-17/h6,14H,2-5H2,1H3
InChIKey
VYJXARJVRTWEKS-UHFFFAOYSA-N
Compound name
4-methyl-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11652 156.7
[M+Na]+ 269.09846 164.1
[M-H]- 245.10196 152.2
[M+NH4]+ 264.14306 167.6
[M+K]+ 285.07240 158.9
[M+H-H2O]+ 229.10650 144.6
[M+HCOO]- 291.10744 166.1
[M+CH3COO]- 305.12309 189.8
[M+Na-2H]- 267.08391 160.5
[M]+ 246.10869 147.0
[M]- 246.10979 147.0
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.