CID 3033463

Brn 1130482

Structural Information

Molecular Formula
C16H24N2O2S
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCN2CCOCC2
InChI
InChI=1S/C16H24N2O2S/c1-2-11-20-15-5-3-14(4-6-15)16(21)17-7-8-18-9-12-19-13-10-18/h3-6H,2,7-13H2,1H3,(H,17,21)
InChIKey
FFEPZRJGFXHWPH-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-4-propoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15585 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16313 173.1
[M+Na]+ 331.14507 176.1
[M-H]- 307.14857 177.4
[M+NH4]+ 326.18967 185.0
[M+K]+ 347.11901 173.1
[M+H-H2O]+ 291.15311 164.2
[M+HCOO]- 353.15405 185.9
[M+CH3COO]- 367.16970 204.8
[M+Na-2H]- 329.13052 173.8
[M]+ 308.15530 172.9
[M]- 308.15640 172.9
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.