CID 386010

Nsc677549

Structural Information

Molecular Formula
C26H20N2O2S2
SMILES
C1=CC=C(C(=C1)C=NC2=CC=CC=C2SSC3=CC=CC=C3N=CC4=CC=CC=C4O)O
InChI
InChI=1S/C26H20N2O2S2/c29-23-13-5-1-9-19(23)17-27-21-11-3-7-15-25(21)31-32-26-16-8-4-12-22(26)28-18-20-10-2-6-14-24(20)30/h1-18,29-30H
InChIKey
OUHYXWHJDDKIAZ-UHFFFAOYSA-N
Compound name
2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

456.09662 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10390 205.7
[M+Na]+ 479.08584 212.6
[M-H]- 455.08934 217.1
[M+NH4]+ 474.13044 214.0
[M+K]+ 495.05978 202.5
[M+H-H2O]+ 439.09388 195.2
[M+HCOO]- 501.09482 220.9
[M+CH3COO]- 515.11047 213.9
[M+Na-2H]- 477.07129 207.9
[M]+ 456.09607 207.7
[M]- 456.09717 207.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe