CID 9884366

Pexacerfont

Structural Information

Molecular Formula
C18H24N6O
SMILES
CC[C@@H](C)NC1=NC(=NC2=C(C(=NN21)C)C3=C(N=C(C=C3)OC)C)C
InChI
InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
InChIKey
LBWQSAZEYIZZCE-SNVBAGLBSA-N
Compound name
N-[(2R)-butan-2-yl]-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

434
Patents

340.20117 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20845 184.5
[M+Na]+ 363.19039 199.3
[M+NH4]+ 358.23499 190.0
[M+K]+ 379.16433 194.6
[M-H]- 339.19389 186.7
[M+Na-2H]- 361.17584 190.5
[M]+ 340.20062 187.2
[M]- 340.20172 187.2
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

patents stripe