CID 465329

N-(3-hydroxyphenyl)-2-[[2-[(3-hydroxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide

Structural Information

Molecular Formula
C26H20N2O4S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)O)SSC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)O
InChI
InChI=1S/C26H20N2O4S2/c29-19-9-5-7-17(15-19)27-25(31)21-11-1-3-13-23(21)33-34-24-14-4-2-12-22(24)26(32)28-18-8-6-10-20(30)16-18/h1-16,29-30H,(H,27,31)(H,28,32)
InChIKey
VPDSDLRSWCMYOS-UHFFFAOYSA-N
Compound name
N-(3-hydroxyphenyl)-2-[[2-[(3-hydroxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

488.08646 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.09374 209.4
[M+Na]+ 511.07568 213.4
[M-H]- 487.07918 217.9
[M+NH4]+ 506.12028 214.3
[M+K]+ 527.04962 204.9
[M+H-H2O]+ 471.08372 199.5
[M+HCOO]- 533.08466 219.9
[M+CH3COO]- 547.10031 215.5
[M+Na-2H]- 509.06113 210.3
[M]+ 488.08591 209.7
[M]- 488.08701 209.7
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

No patent data available for this compound.