CID 395862

Nsc700864

Structural Information

Molecular Formula
C22H20N2OS
SMILES
CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H20N2OS/c1-2-3-7-16-10-12-19(13-11-16)24-22(25)20-14-18(15-23-21(20)26-24)17-8-5-4-6-9-17/h4-6,8-15H,2-3,7H2,1H3
InChIKey
CPXKVJSIEUVWNW-UHFFFAOYSA-N
Compound name
2-(4-butylphenyl)-5-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.12964 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13692 186.4
[M+Na]+ 383.11886 197.8
[M-H]- 359.12236 195.5
[M+NH4]+ 378.16346 200.1
[M+K]+ 399.09280 189.7
[M+H-H2O]+ 343.12690 177.0
[M+HCOO]- 405.12784 204.3
[M+CH3COO]- 419.14349 197.7
[M+Na-2H]- 381.10431 187.9
[M]+ 360.12909 192.1
[M]- 360.13019 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.