CID 44149706

72102-74-0

Structural Information

Molecular Formula
C66H56N6O12
SMILES
CCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5C)NC(=O)C6=CC7=CC=CC=C7C(=C6O)N=NC8=C(C=CC(=C8)C(=O)OC9=CC=C(C=C9)C(=O)OCCC)C)C)O
InChI
InChI=1S/C66H56N6O12/c1-7-29-81-63(77)41-21-25-47(26-22-41)83-65(79)45-19-17-37(3)55(35-45)69-71-57-49-15-11-9-13-43(49)33-51(59(57)73)61(75)67-53-31-40(6)54(32-39(53)5)68-62(76)52-34-44-14-10-12-16-50(44)58(60(52)74)72-70-56-36-46(20-18-38(56)4)66(80)84-48-27-23-42(24-28-48)64(78)82-30-8-2/h9-28,31-36,73-74H,7-8,29-30H2,1-6H3,(H,67,75)(H,68,76)
InChIKey
GTILPFUSIZEYOK-UHFFFAOYSA-N
Compound name
(4-propoxycarbonylphenyl) 3-[[2-hydroxy-3-[[4-[[3-hydroxy-4-[[2-methyl-5-(4-propoxycarbonylphenoxy)carbonylphenyl]diazenyl]naphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]carbamoyl]naphthalen-1-yl]diazenyl]-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1124.3956 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1125.4029 327.2
[M+Na]+ 1147.3848 333.6
[M+NH4]+ 1142.4294 333.5
[M+K]+ 1163.3588 331.4
[M-H]- 1123.3883 330.7
[M+Na-2H]- 1145.3703 352.7
[M]+ 1124.3951 332.9
[M]- 1124.3961 332.9
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.