CID 3033492

70299-57-9

Structural Information

Molecular Formula
C15H19N3OS
SMILES
C1CCN(CC1)CC(=O)N/C=C\2/NC3=CC=CC=C3S2
InChI
InChI=1S/C15H19N3OS/c19-14(11-18-8-4-1-5-9-18)16-10-15-17-12-6-2-3-7-13(12)20-15/h2-3,6-7,10,17H,1,4-5,8-9,11H2,(H,16,19)/b15-10-
InChIKey
BSZZEWPFFAFISG-GDNBJRDFSA-N
Compound name
N-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12488 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.132156 165.6
[M+Na]+ 312.114098 169.7
[M-H]- 288.117604 167.8
[M+NH4]+ 307.158703 180.5
[M+K]+ 328.088038 164.0
[M+H-H2O]+ 272.122140 157.8
[M+HCOO]- 334.123081 176.3
[M+CH3COO]- 348.138731 174.3
[M+Na-2H]- 310.099546 165.6
[M]+ 289.12433142 159.8
[M]- 289.12542858 159.8
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.