CID 110869

6505-28-8

Structural Information

Molecular Formula
C34H32N6O6
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)OC)OC
InChI
InChI=1S/C34H32N6O6/c1-21(41)31(33(43)35-25-11-7-5-8-12-25)39-37-27-17-15-23(19-29(27)45-3)24-16-18-28(30(20-24)46-4)38-40-32(22(2)42)34(44)36-26-13-9-6-10-14-26/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)
InChIKey
DMPXHEMGDYKSFL-UHFFFAOYSA-N
Compound name
2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

620.23834 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.24562 246.7
[M+Na]+ 643.22756 254.8
[M+NH4]+ 638.27216 248.3
[M+K]+ 659.20150 249.6
[M-H]- 619.23106 255.4
[M+Na-2H]- 641.21301 255.6
[M]+ 620.23779 249.6
[M]- 620.23889 249.6
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

patents stripe