CID 6475001

Nsc670050

Structural Information

Molecular Formula
C25H28OS
SMILES
CC(C)C1=CC=C(C=C1)/C=C/2\CSC/C(=C/C3=CC=C(C=C3)C(C)C)/C2=O
InChI
InChI=1S/C25H28OS/c1-17(2)21-9-5-19(6-10-21)13-23-15-27-16-24(25(23)26)14-20-7-11-22(12-8-20)18(3)4/h5-14,17-18H,15-16H2,1-4H3/b23-13-,24-14+
InChIKey
YKWPGXLVWMXVKD-NQGGHMMCSA-N
Compound name
(3E,5Z)-3,5-bis[(4-propan-2-ylphenyl)methylidene]thian-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1861 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19338 191.8
[M+Na]+ 399.17532 196.1
[M-H]- 375.17882 200.2
[M+NH4]+ 394.21992 204.1
[M+K]+ 415.14926 188.8
[M+H-H2O]+ 359.18336 183.0
[M+HCOO]- 421.18430 203.2
[M+CH3COO]- 435.19995 220.0
[M+Na-2H]- 397.16077 186.2
[M]+ 376.18555 189.6
[M]- 376.18665 189.6
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.