CID 12711863

106615-09-2

Structural Information

Molecular Formula
C21H26O3
SMILES
CCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OCCCC
InChI
InChI=1S/C21H26O3/c1-3-5-14-23-18-12-13-19(20(16-18)24-15-6-4-2)21(22)17-10-8-7-9-11-17/h7-13,16H,3-6,14-15H2,1-2H3
InChIKey
YXHZAEYCDUDRMY-UHFFFAOYSA-N
Compound name
(2,4-dibutoxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1882 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19548 180.8
[M+Na]+ 349.17742 185.9
[M-H]- 325.18092 186.6
[M+NH4]+ 344.22202 194.6
[M+K]+ 365.15136 182.0
[M+H-H2O]+ 309.18546 171.9
[M+HCOO]- 371.18640 202.5
[M+CH3COO]- 385.20205 211.3
[M+Na-2H]- 347.16287 182.3
[M]+ 326.18765 185.9
[M]- 326.18875 185.9
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

patents stripe