CID 9586579

Chembl176042

Structural Information

Molecular Formula
C20H23N3O4
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C/C(=N/NC(=O)C2=C(C=C(C=C2)O)O)/C)C
InChI
InChI=1S/C20H23N3O4/c1-11-7-12(2)19(13(3)8-11)21-18(26)9-14(4)22-23-20(27)16-6-5-15(24)10-17(16)25/h5-8,10,24-25H,9H2,1-4H3,(H,21,26)(H,23,27)/b22-14+
InChIKey
RJBQDYYYNUGFRI-HYARGMPZSA-N
Compound name
2,4-dihydroxy-N-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

369.16885 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 189.4
[M+Na]+ 392.15807 194.5
[M-H]- 368.16157 195.3
[M+NH4]+ 387.20267 200.3
[M+K]+ 408.13201 191.5
[M+H-H2O]+ 352.16611 180.8
[M+HCOO]- 414.16705 211.5
[M+CH3COO]- 428.18270 226.3
[M+Na-2H]- 390.14352 187.9
[M]+ 369.16830 190.1
[M]- 369.16940 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe