CID 3073161

146862-51-3

Structural Information

Molecular Formula
C27H27NO2S
SMILES
C1CS(=O)C2CN(CC2C1(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)C5=CC=CC=C5
InChI
InChI=1S/C27H27NO2S/c29-25(21-10-4-1-5-11-21)19-28-18-24-26(20-28)31(30)17-16-27(24,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
InChIKey
PHVTXYKPNZSAQQ-UHFFFAOYSA-N
Compound name
2-(1-oxo-4,4-diphenyl-2,3,4a,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.17624 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18352 205.5
[M+Na]+ 452.16546 210.5
[M-H]- 428.16896 216.3
[M+NH4]+ 447.21006 217.9
[M+K]+ 468.13940 203.3
[M+H-H2O]+ 412.17350 195.0
[M+HCOO]- 474.17444 216.6
[M+CH3COO]- 488.19009 213.2
[M+Na-2H]- 450.15091 203.1
[M]+ 429.17569 202.8
[M]- 429.17679 202.8
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.