CID 372610

Nsc647971

Structural Information

Molecular Formula
C20H18O3S
SMILES
CC1=CC2=C(C3=C1OC(S3)(C)C)C(=O)C(=C(O2)C4=CC=CC=C4)C
InChI
InChI=1S/C20H18O3S/c1-11-10-14-15(19-17(11)23-20(3,4)24-19)16(21)12(2)18(22-14)13-8-6-5-7-9-13/h5-10H,1-4H3
InChIKey
FROPCGUFZGGZAV-UHFFFAOYSA-N
Compound name
2,2,4,8-tetramethyl-7-phenyl-[1,3]oxathiolo[4,5-f]chromen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09766 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10494 176.2
[M+Na]+ 361.08688 189.1
[M-H]- 337.09038 187.6
[M+NH4]+ 356.13148 194.7
[M+K]+ 377.06082 186.2
[M+H-H2O]+ 321.09492 170.5
[M+HCOO]- 383.09586 191.8
[M+CH3COO]- 397.11151 189.7
[M+Na-2H]- 359.07233 179.6
[M]+ 338.09711 184.3
[M]- 338.09821 184.3
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.