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

17
Patents

312.1474 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 173.8
[M+Na]+ 335.13662 178.9
[M-H]- 311.14012 183.2
[M+NH4]+ 330.18122 188.8
[M+K]+ 351.11056 178.7
[M+H-H2O]+ 295.14466 164.8
[M+HCOO]- 357.14560 198.9
[M+CH3COO]- 371.16125 218.0
[M+Na-2H]- 333.12207 175.3
[M]+ 312.14685 177.7
[M]- 312.14795 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