CID 15986980

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

Structural Information

Molecular Formula
C24H35N7O3S
SMILES
CN(CCO)C(=O)CN1CCN(CC1)C2=NC(=NC(=C2)NC3=CC=C(C=C3)N4CCOCC4)SC
InChI
InChI=1S/C24H35N7O3S/c1-28(11-14-32)23(33)18-29-7-9-31(10-8-29)22-17-21(26-24(27-22)35-2)25-19-3-5-20(6-4-19)30-12-15-34-16-13-30/h3-6,17,32H,7-16,18H2,1-2H3,(H,25,26,27)
InChIKey
BBRLQKJOGVWRRF-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-methyl-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

501.2522 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.25948 218.1
[M+Na]+ 524.24142 218.5
[M-H]- 500.24492 222.5
[M+NH4]+ 519.28602 215.4
[M+K]+ 540.21536 213.4
[M+H-H2O]+ 484.24946 204.5
[M+HCOO]- 546.25040 221.8
[M+CH3COO]- 560.26605 221.0
[M+Na-2H]- 522.22687 216.0
[M]+ 501.25165 214.6
[M]- 501.25275 214.6
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.