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
2
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]+ 601.204116 240.1
[M+Na]+ 623.186058 238.0
[M-H]- 599.189564 253.3
[M+NH4]+ 618.230663 241.1
[M+K]+ 639.159998 241.9
[M+H-H2O]+ 583.194100 226.5
[M+HCOO]- 645.195041 266.5
[M+CH3COO]- 659.210691 282.9
[M+Na-2H]- 621.171506 238.0
[M]+ 600.19629142 246.1
[M]- 600.19738858 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.