CID 135580652

5-bromo-2-hydroxybenzaldehyde 9-acridinylhydrazone

Structural Information

Molecular Formula
C20H14BrN3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N/N=C/C4=C(C=CC(=C4)Br)O
InChI
InChI=1S/C20H14BrN3O/c21-14-9-10-19(25)13(11-14)12-22-24-20-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)20/h1-12,25H,(H,23,24)/b22-12+
InChIKey
KMTIUJKVSBVZEG-WSDLNYQXSA-N
Compound name
2-[(E)-(acridin-9-ylhydrazinylidene)methyl]-4-bromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.032 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.03928 182.0
[M+Na]+ 414.02122 193.4
[M-H]- 390.02472 191.5
[M+NH4]+ 409.06582 197.0
[M+K]+ 429.99516 179.5
[M+H-H2O]+ 374.02926 178.3
[M+HCOO]- 436.03020 203.2
[M+CH3COO]- 450.04585 194.3
[M+Na-2H]- 412.00667 192.3
[M]+ 391.03145 201.3
[M]- 391.03255 201.3
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.