CID 135580651

2,4-dihydroxybenzaldehyde 9-acridinylhydrazone

Structural Information

Molecular Formula
C20H15N3O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N/N=C/C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C20H15N3O2/c24-14-10-9-13(19(25)11-14)12-21-23-20-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)20/h1-12,24-25H,(H,22,23)/b21-12+
InChIKey
KQSSMFSWWMFINC-CIAFOILYSA-N
Compound name
4-[(E)-(acridin-9-ylhydrazinylidene)methyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11642 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 173.7
[M+Na]+ 352.10564 183.0
[M-H]- 328.10914 180.2
[M+NH4]+ 347.15024 187.0
[M+K]+ 368.07958 176.0
[M+H-H2O]+ 312.11368 163.9
[M+HCOO]- 374.11462 196.5
[M+CH3COO]- 388.13027 184.6
[M+Na-2H]- 350.09109 183.8
[M]+ 329.11587 174.6
[M]- 329.11697 174.6
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.