CID 171101962

Sik-in-4

Structural Information

Molecular Formula
C23H23N5OS
SMILES
CSC1=CC(=CC(=C1C#N)OCC2(CCCCC2)N)C3=CN=C4N3C(=CC=C4)C#N
InChI
InChI=1S/C23H23N5OS/c1-30-21-11-16(19-14-27-22-7-5-6-17(12-24)28(19)22)10-20(18(21)13-25)29-15-23(26)8-3-2-4-9-23/h5-7,10-11,14H,2-4,8-9,15,26H2,1H3
InChIKey
LTQKUGJNXFIXKC-UHFFFAOYSA-N
Compound name
3-[3-[(1-aminocyclohexyl)methoxy]-4-cyano-5-methylsulfanylphenyl]imidazo[1,2-a]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

417.16232 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16960 204.7
[M+Na]+ 440.15154 216.0
[M-H]- 416.15504 208.5
[M+NH4]+ 435.19614 212.6
[M+K]+ 456.12548 205.5
[M+H-H2O]+ 400.15958 187.0
[M+HCOO]- 462.16052 209.8
[M+CH3COO]- 476.17617 208.5
[M+Na-2H]- 438.13699 201.9
[M]+ 417.16177 197.1
[M]- 417.16287 197.1
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