CID 87086790

1207515-90-9

Structural Information

Molecular Formula
C20H24GeO4
SMILES
CC[Ge](CC)(C(=O)C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H24GeO4/c1-5-21(6-2,19(22)15-7-11-17(24-3)12-8-15)20(23)16-9-13-18(25-4)14-10-16/h7-14H,5-6H2,1-4H3
InChIKey
KIMKGBGMXUPKJT-UHFFFAOYSA-N
Compound name
[diethyl-(4-methoxybenzoyl)germyl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1026
Patents

402.08862 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09590 192.6
[M+Na]+ 425.07784 197.6
[M-H]- 401.08134 198.4
[M+NH4]+ 420.12244 205.1
[M+K]+ 441.05178 194.7
[M+H-H2O]+ 385.08588 183.9
[M+HCOO]- 447.08682 211.6
[M+CH3COO]- 461.10247 215.9
[M+Na-2H]- 423.06329 193.0
[M]+ 402.08807 197.5
[M]- 402.08917 197.5
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