CID 131752974

(e,e)-1,7-diphenyl-4,6-heptadien-3-ol

Structural Information

Molecular Formula
C19H20O
SMILES
C1=CC=C(C=C1)CCC(/C=C/C=C\C2=CC=CC=C2)O
InChI
InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/b13-7-,14-8+
InChIKey
OVURIZIJDDTXJS-MFUUIURDSA-N
Compound name
(4E,6Z)-1,7-diphenylhepta-4,6-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15143 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15871 165.0
[M+Na]+ 287.14065 169.5
[M-H]- 263.14415 169.2
[M+NH4]+ 282.18525 180.3
[M+K]+ 303.11459 163.2
[M+H-H2O]+ 247.14869 157.2
[M+HCOO]- 309.14963 185.8
[M+CH3COO]- 323.16528 194.4
[M+Na-2H]- 285.12610 168.7
[M]+ 264.15088 163.2
[M]- 264.15198 163.2
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

No patent data available for this compound.