CID 9578575

2-(morpholinoimino)-4'-(phenylthio)acetophenone

Structural Information

Molecular Formula
C18H18N2O2S
SMILES
C1COCCN1/N=C/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2S/c21-18(14-19-20-10-12-22-13-11-20)15-6-8-17(9-7-15)23-16-4-2-1-3-5-16/h1-9,14H,10-13H2/b19-14+
InChIKey
IFOMZFAVOOHTNW-XMHGGMMESA-N
Compound name
(2E)-2-morpholin-4-ylimino-1-(4-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1089 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11618 175.3
[M+Na]+ 349.09812 179.8
[M-H]- 325.10162 184.4
[M+NH4]+ 344.14272 186.6
[M+K]+ 365.07206 176.0
[M+H-H2O]+ 309.10616 165.3
[M+HCOO]- 371.10710 190.8
[M+CH3COO]- 385.12275 185.1
[M+Na-2H]- 347.08357 178.0
[M]+ 326.10835 174.3
[M]- 326.10945 174.3
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.