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]+ 421.121656 206.6
[M+Na]+ 443.103598 216.6
[M-H]- 419.107104 212.8
[M+NH4]+ 438.148203 211.6
[M+K]+ 459.077538 208.1
[M+H-H2O]+ 403.111640 190.9
[M+HCOO]- 465.112581 212.9
[M+CH3COO]- 479.128231 212.6
[M+Na-2H]- 441.089046 203.7
[M]+ 420.11383142 199.6
[M]- 420.11492858 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.