CID 174077

Einecs 265-375-7

Structural Information

Molecular Formula
C51H44N8O5
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)N(CCOC(=O)C5=CC=CC=C5)CCOC(=O)C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)C
InChI
InChI=1S/C51H44N8O5/c1-36-14-12-13-21-45(36)56-55-42-24-28-46(37(2)34-42)57-58-47-29-25-43(35-48(47)52-49(60)38-15-6-3-7-16-38)54-53-41-22-26-44(27-23-41)59(30-32-63-50(61)39-17-8-4-9-18-39)31-33-64-51(62)40-19-10-5-11-20-40/h3-29,34-35H,30-33H2,1-2H3,(H,52,60)
InChIKey
AOYWYUOXPXVZRD-UHFFFAOYSA-N
Compound name
2-[4-[[3-benzamido-4-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N-(2-benzoyloxyethyl)anilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

848.34344 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 849.35072 292.3
[M+Na]+ 871.33266 287.2
[M-H]- 847.33616 315.2
[M+NH4]+ 866.37726 282.5
[M+K]+ 887.30660 287.2
[M+H-H2O]+ 831.34070 270.5
[M+HCOO]- 893.34164 320.8
[M+CH3COO]- 907.35729 328.2
[M+Na-2H]- 869.31811 294.9
[M]+ 848.34289 296.3
[M]- 848.34399 296.3
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.