CID 157029654

2734204-79-4

Structural Information

Molecular Formula
C24H34N6O2S
SMILES
CC(C)NC(=O)CN(C)C1=NC(=NC2=C1CCC2)C3=NC=CC(=C3)OCCN4CCSCC4
InChI
InChI=1S/C24H34N6O2S/c1-17(2)26-22(31)16-29(3)24-19-5-4-6-20(19)27-23(28-24)21-15-18(7-8-25-21)32-12-9-30-10-13-33-14-11-30/h7-8,15,17H,4-6,9-14,16H2,1-3H3,(H,26,31)
InChIKey
GBMIEZXDNROMQU-UHFFFAOYSA-N
Compound name
2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

470.2464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.25368 208.6
[M+Na]+ 493.23562 217.4
[M+NH4]+ 488.28022 213.9
[M+K]+ 509.20956 211.6
[M-H]- 469.23912 212.8
[M+Na-2H]- 491.22107 213.7
[M]+ 470.24585 211.1
[M]- 470.24695 211.1
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

patents stripe