CID 6475666

N-[(e)-4-phenylbut-3-enyl]-4-thiomorpholino-aniline

Structural Information

Molecular Formula
C20H24N2S
SMILES
C1CSCCN1C2=CC=C(C=C2)NCC/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H24N2S/c1-2-6-18(7-3-1)8-4-5-13-21-19-9-11-20(12-10-19)22-14-16-23-17-15-22/h1-4,6-12,21H,5,13-17H2/b8-4+
InChIKey
YNFQQEKVANHNLS-XBXARRHUSA-N
Compound name
N-[(E)-4-phenylbut-3-enyl]-4-thiomorpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.16602 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17330 175.8
[M+Na]+ 347.15524 179.1
[M-H]- 323.15874 182.2
[M+NH4]+ 342.19984 188.0
[M+K]+ 363.12918 171.9
[M+H-H2O]+ 307.16328 165.9
[M+HCOO]- 369.16422 190.3
[M+CH3COO]- 383.17987 184.4
[M+Na-2H]- 345.14069 177.5
[M]+ 324.16547 171.7
[M]- 324.16657 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.