CID 136086268

123677-05-4

Structural Information

Molecular Formula
C37H24ClN5O3
SMILES
CC1=C(C=CC(=C1)N=NC2=CC3=C(C=C2)C4=CC=CC=C4C3=O)N=NC5=C(C(=CC6=CC=CC=C65)C(=O)NC7=CC=CC=C7Cl)O
InChI
InChI=1S/C37H24ClN5O3/c1-21-18-23(40-41-24-14-16-27-26-10-4-5-11-28(26)35(44)29(27)20-24)15-17-32(21)42-43-34-25-9-3-2-8-22(25)19-30(36(34)45)37(46)39-33-13-7-6-12-31(33)38/h2-20,45H,1H3,(H,39,46)
InChIKey
VPAMQMUFSLAWHP-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-3-hydroxy-4-[[2-methyl-4-[(9-oxofluoren-2-yl)diazenyl]phenyl]diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.15674 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.16402 249.0
[M+Na]+ 644.14596 256.2
[M-H]- 620.14946 266.9
[M+NH4]+ 639.19056 255.4
[M+K]+ 660.11990 249.8
[M+H-H2O]+ 604.15400 235.1
[M+HCOO]- 666.15494 270.8
[M+CH3COO]- 680.17059 256.0
[M+Na-2H]- 642.13141 252.1
[M]+ 621.15619 255.8
[M]- 621.15729 255.8
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.