CID 344732

[4-(dimethylamino)benzoyl] 4-(dimethylamino)benzoate

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CN(C)C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C18H20N2O3/c1-19(2)15-9-5-13(6-10-15)17(21)23-18(22)14-7-11-16(12-8-14)20(3)4/h5-12H,1-4H3
InChIKey
KGUATYWLOBCNMI-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)benzoyl] 4-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

312.1474 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 173.8
[M+Na]+ 335.136618 178.9
[M-H]- 311.140124 183.2
[M+NH4]+ 330.181223 188.8
[M+K]+ 351.110558 178.7
[M+H-H2O]+ 295.144660 164.8
[M+HCOO]- 357.145601 198.9
[M+CH3COO]- 371.161251 218.0
[M+Na-2H]- 333.122066 175.3
[M]+ 312.14685142 177.7
[M]- 312.14794858 177.7
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

patents stripe