CID 71750882

343272-53-7

Structural Information

Molecular Formula
C27H26O3
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)OC
InChI
InChI=1S/C27H26O3/c1-29-26-13-9-21-15-19(3-7-23(21)17-26)5-11-25(28)12-6-20-4-8-24-18-27(30-2)14-10-22(24)16-20/h3-4,7-10,13-18H,5-6,11-12H2,1-2H3
InChIKey
UMTKETXRHOPDDD-UHFFFAOYSA-N
Compound name
1,5-bis(6-methoxynaphthalen-2-yl)pentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1882 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19548 200.1
[M+Na]+ 421.17742 207.5
[M-H]- 397.18092 208.0
[M+NH4]+ 416.22202 212.7
[M+K]+ 437.15136 201.3
[M+H-H2O]+ 381.18546 189.5
[M+HCOO]- 443.18640 220.0
[M+CH3COO]- 457.20205 226.6
[M+Na-2H]- 419.16287 203.7
[M]+ 398.18765 206.1
[M]- 398.18875 206.1
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.