CID 9557958

4-morpholinobenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C12H16N4OS
SMILES
C1COCCN1C2=CC=C(C=C2)/C=N/NC(=S)N
InChI
InChI=1S/C12H16N4OS/c13-12(18)15-14-9-10-1-3-11(4-2-10)16-5-7-17-8-6-16/h1-4,9H,5-8H2,(H3,13,15,18)/b14-9+
InChIKey
QNXVGQNACGSIOY-NTEUORMPSA-N
Compound name
[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11178 159.1
[M+Na]+ 287.09372 168.2
[M+NH4]+ 282.13832 166.6
[M+K]+ 303.06766 160.7
[M-H]- 263.09722 165.1
[M+Na-2H]- 285.07917 165.0
[M]+ 264.10395 162.2
[M]- 264.10505 162.2
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.