CID 6477107

Nsc636955

Structural Information

Molecular Formula
C23H18O2
SMILES
CC(=O)/C(=C\C1=CC=C(C=C1)C2=CC=CC=C2)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H18O2/c1-17(24)22(23(25)21-10-6-3-7-11-21)16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-16H,1H3/b22-16+
InChIKey
NPMHKEMZUVOLJB-CJLVFECKSA-N
Compound name
(2E)-1-phenyl-2-[(4-phenylphenyl)methylidene]butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13068 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13796 178.8
[M+Na]+ 349.11990 183.5
[M-H]- 325.12340 187.7
[M+NH4]+ 344.16450 191.4
[M+K]+ 365.09384 177.9
[M+H-H2O]+ 309.12794 169.3
[M+HCOO]- 371.12888 199.3
[M+CH3COO]- 385.14453 209.7
[M+Na-2H]- 347.10535 180.1
[M]+ 326.13013 177.3
[M]- 326.13123 177.3
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.