CID 137250088

Phloretin isonicotinyl hydrazone

Structural Information

Molecular Formula
C21H21N3O4
SMILES
C1=CC(=CC=C1CCC(=NNCC2=CC=NC=C2)C3=C(C=C(C=C3O)O)O)O
InChI
InChI=1S/C21H21N3O4/c25-16-4-1-14(2-5-16)3-6-18(21-19(27)11-17(26)12-20(21)28)24-23-13-15-7-9-22-10-8-15/h1-2,4-5,7-12,23,25-28H,3,6,13H2
InChIKey
HIJRCZCUBGIPID-UHFFFAOYSA-N
Compound name
2-[C-[2-(4-hydroxyphenyl)ethyl]-N-(pyridin-4-ylmethylamino)carbonimidoyl]benzene-1,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.1532 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 188.7
[M+Na]+ 402.14242 193.5
[M-H]- 378.14592 193.4
[M+NH4]+ 397.18702 196.0
[M+K]+ 418.11636 187.6
[M+H-H2O]+ 362.15046 178.5
[M+HCOO]- 424.15140 208.1
[M+CH3COO]- 438.16705 217.9
[M+Na-2H]- 400.12787 191.6
[M]+ 379.15265 187.0
[M]- 379.15375 187.0
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

No patent data available for this compound.