CID 2724108

2,3,3',4'-tetramethoxybenzophenone

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C=C(C=C1)C(=O)C2=C(C(=CC=C2)OC)OC)OC
InChI
InChI=1S/C17H18O5/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10H,1-4H3
InChIKey
ZZMLFJJROAGMSL-UHFFFAOYSA-N
Compound name
(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

302.11542 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.122696 166.9
[M+Na]+ 325.104638 175.3
[M-H]- 301.108144 174.3
[M+NH4]+ 320.149243 182.2
[M+K]+ 341.078578 174.0
[M+H-H2O]+ 285.112680 158.8
[M+HCOO]- 347.113621 190.4
[M+CH3COO]- 361.129271 206.1
[M+Na-2H]- 323.090086 169.5
[M]+ 302.11487142 174.4
[M]- 302.11596858 174.4
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