CID 3063110

2-methoxy-n-(1-methyl-2-(1-piperidinyl)ethyl)-4-phenyl-5-thiazolecarboxamide

Structural Information

Molecular Formula
C19H25N3O2S
SMILES
CC(CN1CCCCC1)NC(=O)C2=C(N=C(S2)OC)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O2S/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
WFKVLSZMAQCSKL-UHFFFAOYSA-N
Compound name
2-methoxy-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

359.16675 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17403 185.3
[M+Na]+ 382.15597 188.8
[M-H]- 358.15947 191.5
[M+NH4]+ 377.20057 196.7
[M+K]+ 398.12991 184.5
[M+H-H2O]+ 342.16401 175.7
[M+HCOO]- 404.16495 198.0
[M+CH3COO]- 418.18060 214.1
[M+Na-2H]- 380.14142 182.2
[M]+ 359.16620 184.5
[M]- 359.16730 184.5
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.