CID 6479832

4-[(2-methyl-1,5-diphenyl-pyrrol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide

Structural Information

Molecular Formula
C22H24N2O2S
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CN4CCS(=O)(=O)CC4
InChI
InChI=1S/C22H24N2O2S/c1-18-20(17-23-12-14-27(25,26)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
MBBZNAVVCJTTNS-UHFFFAOYSA-N
Compound name
4-[(2-methyl-1,5-diphenylpyrrol-3-yl)methyl]-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.15585 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16313 190.9
[M+Na]+ 403.14507 199.1
[M-H]- 379.14857 201.1
[M+NH4]+ 398.18967 203.9
[M+K]+ 419.11901 192.3
[M+H-H2O]+ 363.15311 180.8
[M+HCOO]- 425.15405 205.2
[M+CH3COO]- 439.16970 200.7
[M+Na-2H]- 401.13052 189.3
[M]+ 380.15530 190.8
[M]- 380.15640 190.8
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.