CID 3078982

Methanone, (3,4-dipropoxyphenyl)phenyl-

Structural Information

Molecular Formula
C19H22O3
SMILES
CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)OCCC
InChI
InChI=1S/C19H22O3/c1-3-12-21-17-11-10-16(14-18(17)22-13-4-2)19(20)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3
InChIKey
DSLQERVRCPYMRC-UHFFFAOYSA-N
Compound name
(3,4-dipropoxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1569 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.164176 171.5
[M+Na]+ 321.146118 177.5
[M-H]- 297.149624 177.7
[M+NH4]+ 316.190723 186.5
[M+K]+ 337.120058 174.1
[M+H-H2O]+ 281.154160 163.1
[M+HCOO]- 343.155101 193.9
[M+CH3COO]- 357.170751 205.3
[M+Na-2H]- 319.131566 174.1
[M]+ 298.15635142 176.0
[M]- 298.15744858 176.0
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.