CID 90241673

Epz015666

Structural Information

Molecular Formula
C20H25N5O3
SMILES
C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CC(=NC=N3)NC4COC4)O
InChI
InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1
InChIKey
ZKXZLIFRWWKZRY-KRWDZBQOSA-N
Compound name
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

47
References

305
Patents

383.19574 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20302 194.2
[M+Na]+ 406.18496 199.8
[M+NH4]+ 401.22956 195.2
[M+K]+ 422.15890 196.4
[M-H]- 382.18846 196.1
[M+Na-2H]- 404.17041 196.4
[M]+ 383.19519 193.9
[M]- 383.19629 193.9
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