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 159.2
[M+Na]+ 287.09372 163.3
[M-H]- 263.09722 165.0
[M+NH4]+ 282.13832 172.7
[M+K]+ 303.06766 160.2
[M+H-H2O]+ 247.10176 150.3
[M+HCOO]- 309.10270 176.1
[M+CH3COO]- 323.11835 201.4
[M+Na-2H]- 285.07917 162.4
[M]+ 264.10395 154.9
[M]- 264.10505 154.9
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.