CID 5180830

763138-79-0

Structural Information

Molecular Formula
C26H24N2O3S
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C26H24N2O3S/c1-2-3-6-18-9-11-19(12-10-18)27-24(29)17-32-21-15-13-20(14-16-21)28-25(30)22-7-4-5-8-23(22)26(28)31/h4-5,7-16H,2-3,6,17H2,1H3,(H,27,29)
InChIKey
ZKHBOHXCLJSYQZ-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.15076 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15804 208.8
[M+Na]+ 467.13998 215.7
[M-H]- 443.14348 218.0
[M+NH4]+ 462.18458 219.5
[M+K]+ 483.11392 208.3
[M+H-H2O]+ 427.14802 199.3
[M+HCOO]- 489.14896 224.4
[M+CH3COO]- 503.16461 232.5
[M+Na-2H]- 465.12543 206.5
[M]+ 444.15021 213.1
[M]- 444.15131 213.1
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.