CID 3049736

65193-64-8

Structural Information

Molecular Formula
C25H24S
SMILES
C1CC2=CC=CC=C2C3C1C(CC(S3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H24S/c1-3-9-18(10-4-1)23-17-24(20-12-5-2-6-13-20)26-25-21-14-8-7-11-19(21)15-16-22(23)25/h1-14,22-25H,15-17H2
InChIKey
NGMRZFICYASRNN-UHFFFAOYSA-N
Compound name
2,4-diphenyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]thiochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15988 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16716 182.2
[M+Na]+ 379.14910 187.2
[M-H]- 355.15260 191.6
[M+NH4]+ 374.19370 196.6
[M+K]+ 395.12304 179.2
[M+H-H2O]+ 339.15714 172.4
[M+HCOO]- 401.15808 193.1
[M+CH3COO]- 415.17373 191.0
[M+Na-2H]- 377.13455 184.5
[M]+ 356.15933 177.4
[M]- 356.16043 177.4
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.