CID 370267

3,4-bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol

Structural Information

Molecular Formula
C37H30O
SMILES
CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=CC=C5)O)C6=CC=CC=C6
InChI
InChI=1S/C37H30O/c1-26-18-22-28(23-19-26)33-34(29-24-20-27(2)21-25-29)36(31-14-8-4-9-15-31)37(38,32-16-10-5-11-17-32)35(33)30-12-6-3-7-13-30/h3-25,38H,1-2H3
InChIKey
BZXAJSZVTFJPAE-UHFFFAOYSA-N
Compound name
3,4-bis(4-methylphenyl)-1,2,5-triphenylcyclopenta-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.22968 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.23696 228.7
[M+Na]+ 513.21890 235.7
[M-H]- 489.22240 245.6
[M+NH4]+ 508.26350 237.2
[M+K]+ 529.19284 225.8
[M+H-H2O]+ 473.22694 215.1
[M+HCOO]- 535.22788 248.4
[M+CH3COO]- 549.24353 236.5
[M+Na-2H]- 511.20435 225.7
[M]+ 490.22913 226.8
[M]- 490.23023 226.8
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.