CID 383448

Nsc671816

Structural Information

Molecular Formula
C23H20N2O4S
SMILES
C1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=CC=C4)O)O)O
InChI
InChI=1S/C23H20N2O4S/c24-12-17-16(14-7-3-1-4-8-14)11-18(15-9-5-2-6-10-15)25(23(17)30)22-21(28)20(27)19(26)13-29-22/h1-11,19-22,26-28H,13H2
InChIKey
SVLDXWDIWOKSIW-UHFFFAOYSA-N
Compound name
4,6-diphenyl-2-sulfanylidene-1-(3,4,5-trihydroxyoxan-2-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11438 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12166 206.6
[M+Na]+ 443.10360 216.6
[M-H]- 419.10710 212.8
[M+NH4]+ 438.14820 211.6
[M+K]+ 459.07754 208.1
[M+H-H2O]+ 403.11164 190.9
[M+HCOO]- 465.11258 212.9
[M+CH3COO]- 479.12823 212.6
[M+Na-2H]- 441.08905 203.7
[M]+ 420.11383 199.6
[M]- 420.11493 199.6
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.