CID 135856379

151798-26-4

Structural Information

Molecular Formula
C48H31ClN6O5
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC5=C(C=C4)C6=C(C5=O)C=C(C=C6)N=NC7=C(C(=CC8=CC=CC=C87)C(=O)NC9=CC=CC=C9Cl)O
InChI
InChI=1S/C48H31ClN6O5/c1-26-9-8-12-29(21-26)50-47(59)38-22-27-10-2-4-13-32(27)42(45(38)57)54-52-30-17-19-34-35-20-18-31(25-37(35)44(56)36(34)24-30)53-55-43-33-14-5-3-11-28(33)23-39(46(43)58)48(60)51-41-16-7-6-15-40(41)49/h2-25,57-58H,1H3,(H,50,59)(H,51,60)
InChIKey
NJDPFLKZRJCREB-UHFFFAOYSA-N
Compound name
4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

806.20447 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 807.21175 274.8
[M+Na]+ 829.19369 278.5
[M-H]- 805.19719 293.3
[M+NH4]+ 824.23829 272.7
[M+K]+ 845.16763 275.7
[M+H-H2O]+ 789.20173 258.8
[M+HCOO]- 851.20267 291.9
[M+CH3COO]- 865.21832 277.8
[M+Na-2H]- 827.17914 286.3
[M]+ 806.20392 282.0
[M]- 806.20502 282.0
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

patents stripe