CID 168664739

N-[2-[1-[2-(4-chlorophenyl)pyrimidin-4-yl]cyclobutyl]ethyl]-3-(1-methylsulfonylcyclopropyl)-1,2,4-thiadiazole-5-carboxamide

Structural Information

Molecular Formula
C23H24ClN5O3S2
SMILES
CS(=O)(=O)C1(CC1)C2=NSC(=N2)C(=O)NCCC3(CCC3)C4=NC(=NC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H24ClN5O3S2/c1-34(31,32)23(10-11-23)21-28-20(33-29-21)19(30)26-14-12-22(8-2-9-22)17-7-13-25-18(27-17)15-3-5-16(24)6-4-15/h3-7,13H,2,8-12,14H2,1H3,(H,26,30)
InChIKey
OCLQACOTSDMMAJ-UHFFFAOYSA-N
Compound name
N-[2-[1-[2-(4-chlorophenyl)pyrimidin-4-yl]cyclobutyl]ethyl]-3-(1-methylsulfonylcyclopropyl)-1,2,4-thiadiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.1009 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.10818 203.9
[M+Na]+ 540.09012 209.7
[M-H]- 516.09362 212.0
[M+NH4]+ 535.13472 200.6
[M+K]+ 556.06406 206.5
[M+H-H2O]+ 500.09816 190.9
[M+HCOO]- 562.09910 206.4
[M+CH3COO]- 576.11475 209.4
[M+Na-2H]- 538.07557 204.9
[M]+ 517.10035 218.3
[M]- 517.10145 218.3
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.