CID 109670

68155-72-6

Structural Information

Molecular Formula
C33H23N5O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=NC5=C(C=CC6=CC=CC=C65)O)O
InChI
InChI=1S/C33H23N5O3/c39-29-19-11-21-5-1-3-7-27(21)31(29)37-35-25-13-9-23(10-14-25)33(41)34-24-15-17-26(18-16-24)36-38-32-28-8-4-2-6-22(28)12-20-30(32)40/h1-20,39-40H,(H,34,41)
InChIKey
XJCQDCPELKBVDD-UHFFFAOYSA-N
Compound name
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-N-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.1801 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.18738 224.8
[M+Na]+ 560.16932 230.2
[M-H]- 536.17282 240.6
[M+NH4]+ 555.21392 230.0
[M+K]+ 576.14326 224.7
[M+H-H2O]+ 520.17736 209.9
[M+HCOO]- 582.17830 252.0
[M+CH3COO]- 596.19395 232.4
[M+Na-2H]- 558.15477 233.6
[M]+ 537.17955 226.8
[M]- 537.18065 226.8
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.