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 165.9
[M+Na]+ 300.13924 170.5
[M-H]- 276.14274 170.9
[M+NH4]+ 295.18384 179.9
[M+K]+ 316.11318 167.8
[M+H-H2O]+ 260.14728 158.4
[M+HCOO]- 322.14822 176.2
[M+CH3COO]- 336.16387 197.6
[M+Na-2H]- 298.12469 166.8
[M]+ 277.14947 164.6
[M]- 277.15057 164.6
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

patents stripe