CID 217436

38914-47-5

Structural Information

Molecular Formula
C19H31NOS
SMILES
CC(C)C1=CC(=CC(=C1)OCCCCN2CCSC2)C(C)C
InChI
InChI=1S/C19H31NOS/c1-15(2)17-11-18(16(3)4)13-19(12-17)21-9-6-5-7-20-8-10-22-14-20/h11-13,15-16H,5-10,14H2,1-4H3
InChIKey
PZWNZNGYIXBSRO-UHFFFAOYSA-N
Compound name
3-[4-[3,5-di(propan-2-yl)phenoxy]butyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.21265 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21993 181.1
[M+Na]+ 344.20187 185.1
[M-H]- 320.20537 185.5
[M+NH4]+ 339.24647 196.6
[M+K]+ 360.17581 181.4
[M+H-H2O]+ 304.20991 173.3
[M+HCOO]- 366.21085 193.6
[M+CH3COO]- 380.22650 209.7
[M+Na-2H]- 342.18732 175.5
[M]+ 321.21210 183.9
[M]- 321.21320 183.9
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.