CID 477238

N-4-(1-ethyl-piperidin-3-yl)-6-methyl-n2-(5-trifluoromethyl-1h-benzoimidazol-2-yl)-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C20H24F3N7
SMILES
CCN1CCCC(C1)NC2=NC(=NC(=C2)C)NC3=NC4=C(N3)C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H24F3N7/c1-3-30-8-4-5-14(11-30)25-17-9-12(2)24-18(28-17)29-19-26-15-7-6-13(20(21,22)23)10-16(15)27-19/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H3,24,25,26,27,28,29)
InChIKey
ORUXIGSMWONABH-UHFFFAOYSA-N
Compound name
4-N-(1-ethylpiperidin-3-yl)-6-methyl-2-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.20453 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.21181 200.4
[M+Na]+ 442.19375 208.0
[M-H]- 418.19725 199.9
[M+NH4]+ 437.23835 205.5
[M+K]+ 458.16769 198.7
[M+H-H2O]+ 402.20179 186.0
[M+HCOO]- 464.20273 210.6
[M+CH3COO]- 478.21838 206.1
[M+Na-2H]- 440.17920 202.3
[M]+ 419.20398 193.7
[M]- 419.20508 193.7
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.