CID 82403

10143-03-0

Structural Information

Molecular Formula
C25H25NO6
SMILES
CC1=CC(=CC(=C1O)C(=O)O)C(C2=CC=C(C=C2)N(C)C)C3=CC(=C(C(=C3)C)O)C(=O)O
InChI
InChI=1S/C25H25NO6/c1-13-9-16(11-19(22(13)27)24(29)30)21(15-5-7-18(8-6-15)26(3)4)17-10-14(2)23(28)20(12-17)25(31)32/h5-12,21,27-28H,1-4H3,(H,29,30)(H,31,32)
InChIKey
JUJMADKPHJCRMU-UHFFFAOYSA-N
Compound name
5-[(3-carboxy-4-hydroxy-5-methylphenyl)-[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.16818 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17546 205.2
[M+Na]+ 458.15740 217.1
[M+NH4]+ 453.20200 209.0
[M+K]+ 474.13134 213.4
[M-H]- 434.16090 208.7
[M+Na-2H]- 456.14285 210.2
[M]+ 435.16763 207.6
[M]- 435.16873 207.6
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

No patent data available for this compound.