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

111
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 294.8
[M+Na]+ 829.19369 312.7
[M+NH4]+ 824.23829 300.3
[M+K]+ 845.16763 260.9
[M-H]- 805.19719 310.0
[M+Na-2H]- 827.17914 273.3
[M]+ 806.20392 302.1
[M]- 806.20502 302.1
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