CID 89414

Q-switch ii dye

Structural Information

Molecular Formula
C57H59O4
SMILES
CCCCCOC1=CC=C(C=C1)C2=CC(=C3CCCC(=C3O2)C=CC=CC=C4CCCC5=C4[O+]=C(C=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)OCCCCC
InChI
InChI=1S/C57H59O4/c1-3-5-16-38-58-48-34-30-43(31-35-48)53-41-55(45-32-36-49(37-33-45)59-39-17-6-4-2)61-57-47(27-19-29-51(53)57)25-15-9-14-24-46-26-18-28-50-52(42-20-10-7-11-21-42)40-54(60-56(46)50)44-22-12-8-13-23-44/h7-15,20-25,30-37,40-41H,3-6,16-19,26-29,38-39H2,1-2H3/q+1
InChIKey
ZXISUXLCZSONJR-UHFFFAOYSA-N
Compound name
8-[5-[2,4-bis(4-pentoxyphenyl)-6,7-dihydro-5H-chromen-8-yl]penta-2,4-dienylidene]-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

807.44135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 808.44863 314.0
[M+Na]+ 830.43057 334.7
[M+NH4]+ 825.47517 320.9
[M+K]+ 846.40451 317.8
[M-H]- 806.43407 331.8
[M+Na-2H]- 828.41602 322.9
[M]+ 807.44080 322.9
[M]- 807.44190 322.9
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

patents stripe