CID 3038199

Brn 1134749

Structural Information

Molecular Formula
C17H26N2O2S
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCCN2CCOCC2
InChI
InChI=1S/C17H26N2O2S/c1-2-12-21-16-6-4-15(5-7-16)17(22)18-8-3-9-19-10-13-20-14-11-19/h4-7H,2-3,8-14H2,1H3,(H,18,22)
InChIKey
JDAIWYSAYQHMSL-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-4-propoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1715 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17878 177.3
[M+Na]+ 345.16072 179.9
[M-H]- 321.16422 181.5
[M+NH4]+ 340.20532 188.7
[M+K]+ 361.13466 176.7
[M+H-H2O]+ 305.16876 168.3
[M+HCOO]- 367.16970 189.9
[M+CH3COO]- 381.18535 207.8
[M+Na-2H]- 343.14617 177.6
[M]+ 322.17095 177.5
[M]- 322.17205 177.5
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.