CID 20221289

Benzoic acid, 2-[4-[ethyl(4-methylphenyl)amino]-2-hydroxybenzoyl]-

Structural Information

Molecular Formula
C23H21NO4
SMILES
CCN(C1=CC=C(C=C1)C)C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)O
InChI
InChI=1S/C23H21NO4/c1-3-24(16-10-8-15(2)9-11-16)17-12-13-20(21(25)14-17)22(26)18-6-4-5-7-19(18)23(27)28/h4-14,25H,3H2,1-2H3,(H,27,28)
InChIKey
ZMXSIVGHCGHMCD-UHFFFAOYSA-N
Compound name
2-[4-(N-ethyl-4-methylanilino)-2-hydroxybenzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

375.14706 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 189.3
[M+Na]+ 398.13628 194.5
[M-H]- 374.13978 197.8
[M+NH4]+ 393.18088 199.5
[M+K]+ 414.11022 190.7
[M+H-H2O]+ 358.14432 179.7
[M+HCOO]- 420.14526 209.4
[M+CH3COO]- 434.16091 221.8
[M+Na-2H]- 396.12173 188.7
[M]+ 375.14651 190.2
[M]- 375.14761 190.2
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