CID 6476082

N-[(e)-cinnamyl]-2-thiomorpholino-aniline

Structural Information

Molecular Formula
C19H22N2S
SMILES
C1CSCCN1C2=CC=CC=C2NC/C=C/C3=CC=CC=C3
InChI
InChI=1S/C19H22N2S/c1-2-7-17(8-3-1)9-6-12-20-18-10-4-5-11-19(18)21-13-15-22-16-14-21/h1-11,20H,12-16H2/b9-6+
InChIKey
NPLCYOBSYCPTNI-RMKNXTFCSA-N
Compound name
N-[(E)-3-phenylprop-2-enyl]-2-thiomorpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.15036 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15764 171.6
[M+Na]+ 333.13958 175.4
[M-H]- 309.14308 178.3
[M+NH4]+ 328.18418 184.5
[M+K]+ 349.11352 168.4
[M+H-H2O]+ 293.14762 162.0
[M+HCOO]- 355.14856 186.5
[M+CH3COO]- 369.16421 180.7
[M+Na-2H]- 331.12503 173.8
[M]+ 310.14981 167.2
[M]- 310.15091 167.2
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.