CID 3018804

79102-66-2

Structural Information

Molecular Formula
C32H30N6O10
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)N=NC3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C32H30N6O10/c1-17(39)26(37-35-24-9-7-6-8-22(24)31(44)47-4)28(41)33-20-11-13-21(14-12-20)34-29(42)27(18(2)40)38-36-25-16-19(30(43)46-3)10-15-23(25)32(45)48-5/h6-16,26-27H,1-5H3,(H,33,41)(H,34,42)
InChIKey
BCCHLRMBMFIGAS-UHFFFAOYSA-N
Compound name
dimethyl 2-[[1-[4-[[2-[(2-methoxycarbonylphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.20233 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.20961 250.3
[M+Na]+ 681.19155 247.4
[M-H]- 657.19505 263.4
[M+NH4]+ 676.23615 258.1
[M+K]+ 697.16549 253.5
[M+H-H2O]+ 641.19959 236.7
[M+HCOO]- 703.20053 275.4
[M+CH3COO]- 717.21618 293.6
[M+Na-2H]- 679.17700 290.0
[M]+ 658.20178 258.6
[M]- 658.20288 258.6
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.