CID 53892948

Ns00122560

Structural Information

Molecular Formula
C17H16O
SMILES
C1=CC=C(C=C1)C=CC(C=CC2=CC=CC=C2)O
InChI
InChI=1S/C17H16O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14,17-18H
InChIKey
HRTODTVBDNRDME-UHFFFAOYSA-N
Compound name
1,5-diphenylpenta-1,4-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

236.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.127396 155.8
[M+Na]+ 259.109338 161.2
[M-H]- 235.112844 160.4
[M+NH4]+ 254.153943 172.3
[M+K]+ 275.083278 155.4
[M+H-H2O]+ 219.117380 148.5
[M+HCOO]- 281.118321 177.4
[M+CH3COO]- 295.133971 188.4
[M+Na-2H]- 257.094786 160.6
[M]+ 236.11957142 153.3
[M]- 236.12066858 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe