CID 370268

Nsc643046

Structural Information

Molecular Formula
C38H32O
SMILES
CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=C(C=C5)C)O)C6=CC=CC=C6
InChI
InChI=1S/C38H32O/c1-26-14-20-29(21-15-26)34-35(30-22-16-27(2)17-23-30)37(32-12-8-5-9-13-32)38(39,33-24-18-28(3)19-25-33)36(34)31-10-6-4-7-11-31/h4-25,39H,1-3H3
InChIKey
HLNQRUXQXWKPBK-UHFFFAOYSA-N
Compound name
1,3,4-tris(4-methylphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.24533 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.25261 232.8
[M+Na]+ 527.23455 240.2
[M-H]- 503.23805 250.0
[M+NH4]+ 522.27915 241.1
[M+K]+ 543.20849 230.3
[M+H-H2O]+ 487.24259 219.2
[M+HCOO]- 549.24353 252.2
[M+CH3COO]- 563.25918 240.5
[M+Na-2H]- 525.22000 228.7
[M]+ 504.24478 231.7
[M]- 504.24588 231.7
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.