CID 42707

2,4-dimethoxy-3-dimethylaminomethylbenzophenone hydrochloride

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN(C)CC1=C(C=CC(=C1OC)C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C18H21NO3/c1-19(2)12-15-16(21-3)11-10-14(18(15)22-4)17(20)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKey
GLZNLSMSYFWNGK-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-2,4-dimethoxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.3
[M+Na]+ 322.14135 177.0
[M-H]- 298.14485 178.5
[M+NH4]+ 317.18595 185.9
[M+K]+ 338.11529 175.3
[M+H-H2O]+ 282.14939 161.8
[M+HCOO]- 344.15033 194.7
[M+CH3COO]- 358.16598 212.0
[M+Na-2H]- 320.12680 172.5
[M]+ 299.15158 175.5
[M]- 299.15268 175.5
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.