CID 168664400

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

Structural Information

Molecular Formula
C25H26ClN3O4S
SMILES
CS(=O)(=O)C1(CC1)C2=CC=C(O2)C(=O)NCCC3(CCC3)C4=NC(=NC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H26ClN3O4S/c1-34(31,32)25(12-13-25)21-8-7-19(33-21)23(30)28-16-14-24(10-2-11-24)20-9-15-27-22(29-20)17-3-5-18(26)6-4-17/h3-9,15H,2,10-14,16H2,1H3,(H,28,30)
InChIKey
RASUTLQBWHQDRT-UHFFFAOYSA-N
Compound name
N-[2-[1-[2-(4-chlorophenyl)pyrimidin-4-yl]cyclobutyl]ethyl]-5-(1-methylsulfonylcyclopropyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.13327 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.14055 202.7
[M+Na]+ 522.12249 208.7
[M-H]- 498.12599 215.0
[M+NH4]+ 517.16709 201.2
[M+K]+ 538.09643 208.2
[M+H-H2O]+ 482.13053 190.3
[M+HCOO]- 544.13147 211.0
[M+CH3COO]- 558.14712 236.4
[M+Na-2H]- 520.10794 204.4
[M]+ 499.13272 218.9
[M]- 499.13382 218.9
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.