CID 6479831

4-{2-methyl-1,5-diphenylpyrrol-3-yl)methyl]-thiomorpholin-1-one

Structural Information

Molecular Formula
C22H24N2OS
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CN4CCS(=O)CC4
InChI
InChI=1S/C22H24N2OS/c1-18-20(17-23-12-14-26(25)15-13-23)16-22(19-8-4-2-5-9-19)24(18)21-10-6-3-7-11-21/h2-11,16H,12-15,17H2,1H3
InChIKey
LGSUDLCHLPVGLG-UHFFFAOYSA-N
Compound name
4-[(2-methyl-1,5-diphenylpyrrol-3-yl)methyl]-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.16095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16823 187.8
[M+Na]+ 387.15017 195.1
[M-H]- 363.15367 197.7
[M+NH4]+ 382.19477 199.7
[M+K]+ 403.12411 187.8
[M+H-H2O]+ 347.15821 177.6
[M+HCOO]- 409.15915 201.7
[M+CH3COO]- 423.17480 197.4
[M+Na-2H]- 385.13562 184.8
[M]+ 364.16040 186.6
[M]- 364.16150 186.6
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.