CID 6477009

Nsc144310

Structural Information

Molecular Formula
C23H24O5S
SMILES
COC1=C(C=C(C=C1)/C=C/2\CSC/C(=C/C3=CC(=C(C=C3)OC)OC)/C2=O)OC
InChI
InChI=1S/C23H24O5S/c1-25-19-7-5-15(11-21(19)27-3)9-17-13-29-14-18(23(17)24)10-16-6-8-20(26-2)22(12-16)28-4/h5-12H,13-14H2,1-4H3/b17-9-,18-10+
InChIKey
SXZBYUVSZLNKJM-BUOZRGFLSA-N
Compound name
(3E,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]thian-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13443 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14171 197.5
[M+Na]+ 435.12365 204.0
[M-H]- 411.12715 206.8
[M+NH4]+ 430.16825 208.5
[M+K]+ 451.09759 198.9
[M+H-H2O]+ 395.13169 188.1
[M+HCOO]- 457.13263 212.3
[M+CH3COO]- 471.14828 223.4
[M+Na-2H]- 433.10910 194.3
[M]+ 412.13388 202.2
[M]- 412.13498 202.2
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.