CID 6446760

(e)-alpha-(3,3-diphenyl-2-propenylidene)benzeneacetic acid

Structural Information

Molecular Formula
C23H18O2
SMILES
C1=CC=C(C=C1)C(=C/C=C(\C2=CC=CC=C2)/C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C23H18O2/c24-23(25)22(20-14-8-3-9-15-20)17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-17H,(H,24,25)/b22-17+
InChIKey
NUWHLSDDMGITAR-OQKWZONESA-N
Compound name
(2E)-2,5,5-triphenylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13068 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13796 179.6
[M+Na]+ 349.11990 183.0
[M-H]- 325.12340 186.7
[M+NH4]+ 344.16450 191.2
[M+K]+ 365.09384 176.5
[M+H-H2O]+ 309.12794 170.4
[M+HCOO]- 371.12888 198.6
[M+CH3COO]- 385.14453 205.5
[M+Na-2H]- 347.10535 181.2
[M]+ 326.13013 175.8
[M]- 326.13123 175.8
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.