CID 44145278

79102-67-3

Structural Information

Molecular Formula
C30H28N6O8
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=CC=CC=C2C(=O)OC)N=NC3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C30H28N6O8/c1-17(37)25(35-33-23-11-7-5-9-21(23)29(41)43-3)27(39)31-19-13-15-20(16-14-19)32-28(40)26(18(2)38)36-34-24-12-8-6-10-22(24)30(42)44-4/h5-16,25-26H,1-4H3,(H,31,39)(H,32,40)
InChIKey
PIXYQDSJWJCYRB-UHFFFAOYSA-N
Compound name
methyl 2-[[1-[4-[[2-[(2-methoxycarbonylphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.19684 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.20412 240.1
[M+Na]+ 623.18606 238.0
[M-H]- 599.18956 253.3
[M+NH4]+ 618.23066 241.1
[M+K]+ 639.16000 241.9
[M+H-H2O]+ 583.19410 226.5
[M+HCOO]- 645.19504 266.5
[M+CH3COO]- 659.21069 282.9
[M+Na-2H]- 621.17151 238.0
[M]+ 600.19629 246.1
[M]- 600.19739 246.1
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

No patent data available for this compound.