CID 207064

4-hydroxy-2,3-isophthaloxylidide

Structural Information

Molecular Formula
C24H24N2O3
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC(=C3C)C)C
InChI
InChI=1S/C24H24N2O3/c1-14-7-5-9-20(16(14)3)25-23(28)18-11-12-22(27)19(13-18)24(29)26-21-10-6-8-15(2)17(21)4/h5-13,27H,1-4H3,(H,25,28)(H,26,29)
InChIKey
YDZDAMOTXQVRJY-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(2,3-dimethylphenyl)-4-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17868 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18596 196.0
[M+Na]+ 411.16790 202.4
[M-H]- 387.17140 205.1
[M+NH4]+ 406.21250 206.3
[M+K]+ 427.14184 197.3
[M+H-H2O]+ 371.17594 186.3
[M+HCOO]- 433.17688 217.5
[M+CH3COO]- 447.19253 228.2
[M+Na-2H]- 409.15335 194.9
[M]+ 388.17813 196.5
[M]- 388.17923 196.5
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.