CID 104297

2-(4-diethylamino-2-hydroxybenzoyl)-1,4-benzenedicarboxylic acid

Structural Information

Molecular Formula
C19H19NO6
SMILES
CCN(CC)C1=CC(=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)O
InChI
InChI=1S/C19H19NO6/c1-3-20(4-2)12-6-8-14(16(21)10-12)17(22)15-9-11(18(23)24)5-7-13(15)19(25)26/h5-10,21H,3-4H2,1-2H3,(H,23,24)(H,25,26)
InChIKey
QZQLZSOVLJRVIK-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.12125 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12853 180.5
[M+Na]+ 380.11047 185.6
[M-H]- 356.11397 184.8
[M+NH4]+ 375.15507 191.0
[M+K]+ 396.08441 183.7
[M+H-H2O]+ 340.11851 172.5
[M+HCOO]- 402.11945 198.8
[M+CH3COO]- 416.13510 216.4
[M+Na-2H]- 378.09592 178.1
[M]+ 357.12070 182.5
[M]- 357.12180 182.5
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

No patent data available for this compound.