CID 22676950

98185-21-8

Structural Information

Molecular Formula
C23H20O
SMILES
CC1=CC(=C(C(=C1)/C=C/C2=CC=CC=C2)O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C23H20O/c1-18-16-21(14-12-19-8-4-2-5-9-19)23(24)22(17-18)15-13-20-10-6-3-7-11-20/h2-17,24H,1H3/b14-12+,15-13+
InChIKey
VLRGAEYPFXOYRU-QUMQEAAQSA-N
Compound name
4-methyl-2,6-bis[(E)-2-phenylethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

312.15143 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15871 176.6
[M+Na]+ 335.14065 183.7
[M-H]- 311.14415 184.8
[M+NH4]+ 330.18525 190.3
[M+K]+ 351.11459 175.6
[M+H-H2O]+ 295.14869 167.6
[M+HCOO]- 357.14963 198.3
[M+CH3COO]- 371.16528 187.3
[M+Na-2H]- 333.12610 179.6
[M]+ 312.15088 175.2
[M]- 312.15198 175.2
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