CID 3008123

Chembl566724

Structural Information

Molecular Formula
C22H24N2S
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CN4CCSCC4
InChI
InChI=1S/C22H24N2S/c1-18-20(17-23-12-14-25-15-13-23)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
CPCSLELLXSVSMK-UHFFFAOYSA-N
Compound name
4-[(2-methyl-1,5-diphenylpyrrol-3-yl)methyl]thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

348.16602 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17330 183.7
[M+Na]+ 371.15524 190.2
[M-H]- 347.15874 193.2
[M+NH4]+ 366.19984 196.1
[M+K]+ 387.12918 182.9
[M+H-H2O]+ 331.16328 173.4
[M+HCOO]- 393.16422 197.4
[M+CH3COO]- 407.17987 193.2
[M+Na-2H]- 369.14069 181.4
[M]+ 348.16547 181.5
[M]- 348.16657 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.