CID 110826

6358-88-9

Structural Information

Molecular Formula
C34H32N6O4
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC(C(=O)C)C(=O)NC3=CC=CC=C3)C)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C34H32N6O4/c1-21-19-25(15-17-29(21)37-39-31(23(3)41)33(43)35-27-11-7-5-8-12-27)26-16-18-30(22(2)20-26)38-40-32(24(4)42)34(44)36-28-13-9-6-10-14-28/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)
InChIKey
XRCLOLLTHNRVRB-UHFFFAOYSA-N
Compound name
2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

588.2485 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.25578 243.0
[M+Na]+ 611.23772 252.2
[M+NH4]+ 606.28232 245.8
[M+K]+ 627.21166 245.7
[M-H]- 587.24122 252.6
[M+Na-2H]- 609.22317 252.6
[M]+ 588.24795 246.4
[M]- 588.24905 246.4
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