CID 3064951

106086-22-0

Structural Information

Molecular Formula
C16H24N2OS
SMILES
CCCCCCNC(=O)C1CSC(N1)C2=CC=CC=C2
InChI
InChI=1S/C16H24N2OS/c1-2-3-4-8-11-17-15(19)14-12-20-16(18-14)13-9-6-5-7-10-13/h5-7,9-10,14,16,18H,2-4,8,11-12H2,1H3,(H,17,19)
InChIKey
JGVCCPHVWIJACW-UHFFFAOYSA-N
Compound name
N-hexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16095 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16823 170.4
[M+Na]+ 315.15017 174.1
[M-H]- 291.15367 173.3
[M+NH4]+ 310.19477 185.7
[M+K]+ 331.12411 168.9
[M+H-H2O]+ 275.15821 162.6
[M+HCOO]- 337.15915 184.6
[M+CH3COO]- 351.17480 199.7
[M+Na-2H]- 313.13562 168.3
[M]+ 292.16040 168.9
[M]- 292.16150 168.9
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.