CID 22019766

1-propanone, 1-[4-[(4-benzoylphenyl)thio]phenyl]-2-methyl-2-[(4-methylphenyl)sulfonyl]-

Structural Information

Molecular Formula
C30H26O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(C)(C)C(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H26O4S2/c1-21-9-19-27(20-10-21)36(33,34)30(2,3)29(32)24-13-17-26(18-14-24)35-25-15-11-23(12-16-25)28(31)22-7-5-4-6-8-22/h4-20H,1-3H3
InChIKey
JZKPKNSYAHAKJY-UHFFFAOYSA-N
Compound name
1-[4-(4-benzoylphenyl)sulfanylphenyl]-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1532
Patents

514.12726 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.13454 223.2
[M+Na]+ 537.11648 228.2
[M-H]- 513.11998 234.2
[M+NH4]+ 532.16108 228.7
[M+K]+ 553.09042 221.0
[M+H-H2O]+ 497.12452 212.9
[M+HCOO]- 559.12546 231.0
[M+CH3COO]- 573.14111 239.5
[M+Na-2H]- 535.10193 223.4
[M]+ 514.12671 226.7
[M]- 514.12781 226.7
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

patents stripe