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]+ 358.128526 180.5
[M+Na]+ 380.110468 185.6
[M-H]- 356.113974 184.8
[M+NH4]+ 375.155073 191.0
[M+K]+ 396.084408 183.7
[M+H-H2O]+ 340.118510 172.5
[M+HCOO]- 402.119451 198.8
[M+CH3COO]- 416.135101 216.4
[M+Na-2H]- 378.095916 178.1
[M]+ 357.12070142 182.5
[M]- 357.12179858 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.