CID 9578575

25561-45-9

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]+ 327.116176 175.3
[M+Na]+ 349.098118 179.8
[M-H]- 325.101624 184.4
[M+NH4]+ 344.142723 186.6
[M+K]+ 365.072058 176.0
[M+H-H2O]+ 309.106160 165.3
[M+HCOO]- 371.107101 190.8
[M+CH3COO]- 385.122751 185.1
[M+Na-2H]- 347.083566 178.0
[M]+ 326.10835142 174.3
[M]- 326.10944858 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.