CID 3038190

32412-08-1

Structural Information

Molecular Formula
C16H24N2O2S
SMILES
CC(C)OC1=CC=C(C=C1)C(=S)NCCN2CCOCC2
InChI
InChI=1S/C16H24N2O2S/c1-13(2)20-15-5-3-14(4-6-15)16(21)17-7-8-18-9-11-19-12-10-18/h3-6,13H,7-12H2,1-2H3,(H,17,21)
InChIKey
BMLQKTGWAWLEEC-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15585 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16313 172.6
[M+Na]+ 331.14507 182.4
[M+NH4]+ 326.18967 179.9
[M+K]+ 347.11901 174.6
[M-H]- 307.14857 177.3
[M+Na-2H]- 329.13052 177.4
[M]+ 308.15530 175.6
[M]- 308.15640 175.6
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.