CID 162420

N,n'-(2,5-dichloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]

Structural Information

Molecular Formula
C40H22Cl6N6O4
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)Cl)Cl)O)C(=O)NC4=CC(=C(C=C4Cl)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=CC(=C7)Cl)Cl)Cl
InChI
InChI=1S/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,53-54H,(H,47,55)(H,48,56)
InChIKey
BNOJIFCMRRONPS-UHFFFAOYSA-N
Compound name
N-[2,5-dichloro-4-[[4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

859.9834 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 860.99068 270.2
[M+Na]+ 882.97262 276.7
[M-H]- 858.97612 278.7
[M+NH4]+ 878.01722 267.1
[M+K]+ 898.94656 276.9
[M+H-H2O]+ 842.98066 259.4
[M+HCOO]- 904.98160 267.2
[M+CH3COO]- 918.99725 270.9
[M+Na-2H]- 880.95807 267.6
[M]+ 859.98285 279.7
[M]- 859.98395 279.7
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