CID 90887

23216-52-6

Structural Information

Molecular Formula
C25H23NO6
SMILES
CC1=CC(=CC(=C1O)C(=O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C25H23NO6/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/h5-12,27H,1-4H3,(H,29,30)(H,31,32)
InChIKey
DVJAVMLTYYPMJM-UHFFFAOYSA-N
Compound name
5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.15253 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15981 202.5
[M+Na]+ 456.14175 214.1
[M+NH4]+ 451.18635 206.0
[M+K]+ 472.11569 210.3
[M-H]- 432.14525 205.8
[M+Na-2H]- 454.12720 207.2
[M]+ 433.15198 204.7
[M]- 433.15308 204.7
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.