CID 3043882

Brn 1327837

Structural Information

Molecular Formula
C24H36O2S
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(C(OC2=C1)(C)C)SC(C3)(C)C)O
InChI
InChI=1S/C24H36O2S/c1-8-9-10-11-15(2)16(3)17-12-19(25)21-18-14-23(4,5)27-22(18)24(6,7)26-20(21)13-17/h12-13,15-16,25H,8-11,14H2,1-7H3
InChIKey
LDHHOHIWMSUSOS-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1H-thieno[2,3-c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

388.2436 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25088 193.9
[M+Na]+ 411.23282 200.7
[M-H]- 387.23632 197.7
[M+NH4]+ 406.27742 212.8
[M+K]+ 427.20676 196.8
[M+H-H2O]+ 371.24086 189.5
[M+HCOO]- 433.24180 201.6
[M+CH3COO]- 447.25745 223.6
[M+Na-2H]- 409.21827 191.7
[M]+ 388.24305 200.1
[M]- 388.24415 200.1
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