CID 203335

Morpholine, 4-(((p-tert-butylphenyl)thio)acetyl)-

Structural Information

Molecular Formula
C16H23NOS
SMILES
CC(C)(C)C1=CC=C(C=C1)CC(=S)N2CCOCC2
InChI
InChI=1S/C16H23NOS/c1-16(2,3)14-6-4-13(5-7-14)12-15(19)17-8-10-18-11-9-17/h4-7H,8-12H2,1-3H3
InChIKey
QMEWZXJKVNVIJC-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-1-morpholin-4-ylethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.15002 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15730 166.7
[M+Na]+ 300.13924 178.4
[M+NH4]+ 295.18384 175.1
[M+K]+ 316.11318 170.0
[M-H]- 276.14274 171.3
[M+Na-2H]- 298.12469 172.5
[M]+ 277.14947 170.3
[M]- 277.15057 170.3
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

patents stripe