CID 42697

3-dimethylaminomethyl-4-methoxybenzophenone hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN(C)CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H19NO2/c1-18(2)12-15-11-14(9-10-16(15)20-3)17(19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey
WMJALEFEGSAGSJ-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-4-methoxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 162.9
[M+Na]+ 292.13079 169.2
[M-H]- 268.13429 171.0
[M+NH4]+ 287.17539 179.5
[M+K]+ 308.10473 167.1
[M+H-H2O]+ 252.13883 154.6
[M+HCOO]- 314.13977 187.4
[M+CH3COO]- 328.15542 205.7
[M+Na-2H]- 290.11624 166.3
[M]+ 269.14102 165.9
[M]- 269.14212 165.9
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

No patent data available for this compound.