CID 88936

5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

312.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 173.1
[M+Na]+ 335.136618 178.5
[M-H]- 311.140124 181.4
[M+NH4]+ 330.181223 187.4
[M+K]+ 351.110558 177.5
[M+H-H2O]+ 295.144660 164.5
[M+HCOO]- 357.145601 196.6
[M+CH3COO]- 371.161251 218.2
[M+Na-2H]- 333.122066 173.4
[M]+ 312.14685142 175.6
[M]- 312.14794858 175.6
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