CID 15987165

N-cyclopropyl-2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C24H33N7O2S
SMILES
CSC1=NC(=CC(=N1)N2CCN(CC2)CC(=O)NC3CC3)NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C24H33N7O2S/c1-34-24-27-21(25-18-4-6-20(7-5-18)30-12-14-33-15-13-30)16-22(28-24)31-10-8-29(9-11-31)17-23(32)26-19-2-3-19/h4-7,16,19H,2-3,8-15,17H2,1H3,(H,26,32)(H,25,27,28)
InChIKey
DMAHYJNZCAIEQI-UHFFFAOYSA-N
Compound name
N-cyclopropyl-2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.24164 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.24892 217.2
[M+Na]+ 506.23086 220.3
[M-H]- 482.23436 224.3
[M+NH4]+ 501.27546 211.4
[M+K]+ 522.20480 213.0
[M+H-H2O]+ 466.23890 204.4
[M+HCOO]- 528.23984 223.2
[M+CH3COO]- 542.25549 220.3
[M+Na-2H]- 504.21631 215.3
[M]+ 483.24109 213.8
[M]- 483.24219 213.8
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.