CID 2825055

Maybridge3_004431

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCOC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C18H19NO3/c1-4-22-18(21)16-8-6-5-7-15(16)17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3
InChIKey
IPWXAQGUPNYWJJ-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(dimethylamino)benzoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 169.5
[M+Na]+ 320.125718 175.4
[M-H]- 296.129224 177.5
[M+NH4]+ 315.170323 184.8
[M+K]+ 336.099658 173.6
[M+H-H2O]+ 280.133760 161.1
[M+HCOO]- 342.134701 193.1
[M+CH3COO]- 356.150351 210.2
[M+Na-2H]- 318.111166 171.3
[M]+ 297.13595142 172.9
[M]- 297.13704858 172.9
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

No patent data available for this compound.