CID 3025449

Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)-

Structural Information

Molecular Formula
C16H24N2O2S
SMILES
CN(C)CCCOC1=CC=CC=C1C(=S)N2CCOCC2
InChI
InChI=1S/C16H24N2O2S/c1-17(2)8-5-11-20-15-7-4-3-6-14(15)16(21)18-9-12-19-13-10-18/h3-4,6-7H,5,8-13H2,1-2H3
InChIKey
PWHJEZHEVRUFNV-UHFFFAOYSA-N
Compound name
[2-[3-(dimethylamino)propoxy]phenyl]-morpholin-4-ylmethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15585 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16313 173.6
[M+Na]+ 331.14507 176.8
[M-H]- 307.14857 179.5
[M+NH4]+ 326.18967 186.2
[M+K]+ 347.11901 175.2
[M+H-H2O]+ 291.15311 164.6
[M+HCOO]- 353.15405 187.0
[M+CH3COO]- 367.16970 208.2
[M+Na-2H]- 329.13052 173.7
[M]+ 308.15530 174.8
[M]- 308.15640 174.8
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.