CID 104133

52238-92-3

Structural Information

Molecular Formula
C42H22Cl4F6N6O4
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)C(F)(F)F)Cl)O)C(=O)NC4=CC(=C(C=C4Cl)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=CC(=C7)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C42H22Cl4F6N6O4/c43-27-11-9-21(41(47,48)49)15-33(27)55-57-35-23-7-3-1-5-19(23)13-25(37(35)59)39(61)53-31-17-30(46)32(18-29(31)45)54-40(62)26-14-20-6-2-4-8-24(20)36(38(26)60)58-56-34-16-22(42(50,51)52)10-12-28(34)44/h1-18,59-60H,(H,53,61)(H,54,62)
InChIKey
GEVPMCITMSGJKL-UHFFFAOYSA-N
Compound name
4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-N-[2,5-dichloro-4-[[4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

928.0361 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 929.04338 250.8
[M+Na]+ 951.02532 257.9
[M+NH4]+ 946.06992 250.9
[M+K]+ 966.99926 251.3
[M-H]- 927.02882 252.4
[M+Na-2H]- 949.01077 254.1
[M]+ 928.03555 252.6
[M]- 928.03665 252.6
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