CID 355890

99822-88-5

Structural Information

Molecular Formula
C19H25N3OS2
SMILES
CC(CN1CCCCC1)NC(=O)C2=C(N=C(S2)SC)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3OS2/c1-14(13-22-11-7-4-8-12-22)20-18(23)17-16(21-19(24-2)25-17)15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,20,23)
InChIKey
SUIHBZSLWAQZGJ-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-4-phenyl-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1439 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15118 185.7
[M+Na]+ 398.13312 190.1
[M-H]- 374.13662 191.5
[M+NH4]+ 393.17772 197.2
[M+K]+ 414.10706 184.0
[M+H-H2O]+ 358.14116 177.3
[M+HCOO]- 420.14210 193.1
[M+CH3COO]- 434.15775 193.7
[M+Na-2H]- 396.11857 181.6
[M]+ 375.14335 184.8
[M]- 375.14445 184.8
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.