CID 378930

Nsc662438

Structural Information

Molecular Formula
C32H24ClNO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CN2C(=O)C(C23C(=O)C=C(O3)C4=CC=C(C=C4)Cl)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C32H24ClNO5S/c1-22-12-18-27(19-13-22)40(37,38)21-34-30(36)31(24-8-4-2-5-9-24,25-10-6-3-7-11-25)32(34)29(35)20-28(39-32)23-14-16-26(33)17-15-23/h2-20H,21H2,1H3
InChIKey
LGPCGTRMARNBQG-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonylmethyl]-3,3-diphenyl-5-oxa-1-azaspiro[3.4]oct-6-ene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.1064 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.11368 228.2
[M+Na]+ 592.09562 236.8
[M-H]- 568.09912 244.6
[M+NH4]+ 587.14022 229.9
[M+K]+ 608.06956 234.1
[M+H-H2O]+ 552.10366 212.5
[M+HCOO]- 614.10460 236.5
[M+CH3COO]- 628.12025 236.0
[M+Na-2H]- 590.08107 228.2
[M]+ 569.10585 243.0
[M]- 569.10695 243.0
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.