CID 24898977

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Structural Information

Molecular Formula
C20H26ClN5OS
SMILES
CCC(CC)C1=CC(=NC2=C(C(=NN12)C)C3=C(N=C(S3)N4CCOCC4)Cl)C
InChI
InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)22-19-16(13(4)24-26(15)19)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3
InChIKey
XVAWSBAQNIXMIO-UHFFFAOYSA-N
Compound name
4-[4-chloro-5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

419.15466 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16194 199.7
[M+Na]+ 442.14388 214.6
[M+NH4]+ 437.18848 206.7
[M+K]+ 458.11782 208.7
[M-H]- 418.14738 204.6
[M+Na-2H]- 440.12933 204.0
[M]+ 419.15411 204.0
[M]- 419.15521 204.0
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

patents stripe