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

56
Patents

312.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 173.1
[M+Na]+ 335.13662 178.5
[M-H]- 311.14012 181.4
[M+NH4]+ 330.18122 187.4
[M+K]+ 351.11056 177.5
[M+H-H2O]+ 295.14466 164.5
[M+HCOO]- 357.14560 196.6
[M+CH3COO]- 371.16125 218.2
[M+Na-2H]- 333.12207 173.4
[M]+ 312.14685 175.6
[M]- 312.14795 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