CID 56643473

Chembl1916412

Structural Information

Molecular Formula
C22H24N6O2
SMILES
CC1=C(C=CC(=N1)OC2C(C(C2(C)C)NC(=O)C3=CN=C4N3C=CC=N4)(C)C)C#N
InChI
InChI=1S/C22H24N6O2/c1-13-14(11-23)7-8-16(26-13)30-19-21(2,3)18(22(19,4)5)27-17(29)15-12-25-20-24-9-6-10-28(15)20/h6-10,12,18-19H,1-5H3,(H,27,29)
InChIKey
NZLHNQPBBYMKKJ-UHFFFAOYSA-N
Compound name
N-[3-(5-cyano-6-methylpyridin-2-yl)oxy-2,2,4,4-tetramethylcyclobutyl]imidazo[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

404.19608 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20336 197.0
[M+Na]+ 427.18530 207.1
[M-H]- 403.18880 200.5
[M+NH4]+ 422.22990 201.5
[M+K]+ 443.15924 203.6
[M+H-H2O]+ 387.19334 175.3
[M+HCOO]- 449.19428 209.9
[M+CH3COO]- 463.20993 236.7
[M+Na-2H]- 425.17075 197.7
[M]+ 404.19553 203.5
[M]- 404.19663 203.5
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.