CID 135499416

Nsc659607

Structural Information

Molecular Formula
C22H18BrN5O3
SMILES
C1=CC=C(C=C1)NC(=O)CC(=O)N/N=C/C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C22H18BrN5O3/c23-16-6-8-18(9-7-16)26-27-19-10-11-20(29)15(12-19)14-24-28-22(31)13-21(30)25-17-4-2-1-3-5-17/h1-12,14,29H,13H2,(H,25,30)(H,28,31)/b24-14+,27-26?
InChIKey
HTRFOVNXRDBPGG-KYITUFADSA-N
Compound name
N'-[(E)-[5-[(4-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-N-phenylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.0593 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.06658 199.9
[M+Na]+ 502.04852 205.2
[M-H]- 478.05202 212.9
[M+NH4]+ 497.09312 209.9
[M+K]+ 518.02246 193.4
[M+H-H2O]+ 462.05656 192.7
[M+HCOO]- 524.05750 226.2
[M+CH3COO]- 538.07315 244.2
[M+Na-2H]- 500.03397 205.5
[M]+ 479.05875 217.8
[M]- 479.05985 217.8
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.