CID 15987166

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

Structural Information

Molecular Formula
C26H37N7O2S
SMILES
CSC1=NC(=CC(=N1)N2CCN(CC2)CC(=O)NC3CCCC3)NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C26H37N7O2S/c1-36-26-29-23(27-21-6-8-22(9-7-21)32-14-16-35-17-15-32)18-24(30-26)33-12-10-31(11-13-33)19-25(34)28-20-4-2-3-5-20/h6-9,18,20H,2-5,10-17,19H2,1H3,(H,28,34)(H,27,29,30)
InChIKey
AAIQDFSONZXFGG-UHFFFAOYSA-N
Compound name
N-cyclopentyl-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

511.27295 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.28023 217.7
[M+Na]+ 534.26217 217.3
[M-H]- 510.26567 224.8
[M+NH4]+ 529.30677 216.2
[M+K]+ 550.23611 211.2
[M+H-H2O]+ 494.27021 204.1
[M+HCOO]- 556.27115 221.1
[M+CH3COO]- 570.28680 220.5
[M+Na-2H]- 532.24762 212.7
[M]+ 511.27240 210.0
[M]- 511.27350 210.0
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.