CID 5316932

1,7-diphenyl-4-hepten-3-one

Structural Information

Molecular Formula
C19H20O
SMILES
C1=CC=C(C=C1)CC/C=C/C(=O)CCC2=CC=CC=C2
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/h1-6,8-12,14H,7,13,15-16H2/b14-8+
InChIKey
UDNMYDZHPMNIEQ-RIYZIHGNSA-N
Compound name
(E)-1,7-diphenylhept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

264.15143 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15871 164.6
[M+Na]+ 287.14065 169.4
[M-H]- 263.14415 170.1
[M+NH4]+ 282.18525 180.5
[M+K]+ 303.11459 164.0
[M+H-H2O]+ 247.14869 156.4
[M+HCOO]- 309.14963 186.9
[M+CH3COO]- 323.16528 197.7
[M+Na-2H]- 285.12610 168.6
[M]+ 264.15088 164.6
[M]- 264.15198 164.6
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