CID 56843959

Dtxsid20884667

Structural Information

Molecular Formula
C45H40N6O5
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)N(CCOC(=O)C4=CC=CC=C4)CCOC(=O)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)C
InChI
InChI=1S/C45H40N6O5/c1-32-14-12-13-21-39(32)48-47-37-22-24-40(33(2)30-37)49-50-41-25-23-38(31-42(41)46-43(52)34-15-6-3-7-16-34)51(26-28-55-44(53)35-17-8-4-9-18-35)27-29-56-45(54)36-19-10-5-11-20-36/h3-25,30-31H,26-29H2,1-2H3,(H,46,52)
InChIKey
FJCZHKFJDROGLO-UHFFFAOYSA-N
Compound name
2-[3-benzamido-N-(2-benzoyloxyethyl)-4-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]anilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

744.306 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.31328 277.8
[M+Na]+ 767.29522 274.5
[M-H]- 743.29872 297.8
[M+NH4]+ 762.33982 272.1
[M+K]+ 783.26916 273.1
[M+H-H2O]+ 727.30326 258.3
[M+HCOO]- 789.30420 304.3
[M+CH3COO]- 803.31985 306.6
[M+Na-2H]- 765.28067 278.5
[M]+ 744.30545 281.8
[M]- 744.30655 281.8
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.