CID 117872

26841-47-4

Structural Information

Molecular Formula
C36H31N5O4
SMILES
C1=CC=C(C=C1)C(=O)OCCN(CCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)N=NC4=CC=C(C=C4)N=NC5=CC=CC=C5
InChI
InChI=1S/C36H31N5O4/c42-35(28-10-4-1-5-11-28)44-26-24-41(25-27-45-36(43)29-12-6-2-7-13-29)34-22-20-33(21-23-34)40-39-32-18-16-31(17-19-32)38-37-30-14-8-3-9-15-30/h1-23H,24-27H2
InChIKey
ZRTJIQWDXZGSCW-UHFFFAOYSA-N
Compound name
2-[N-(2-benzoyloxyethyl)-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.2376 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.24488 244.3
[M+Na]+ 620.22682 243.2
[M-H]- 596.23032 262.7
[M+NH4]+ 615.27142 245.3
[M+K]+ 636.20076 240.6
[M+H-H2O]+ 580.23486 226.9
[M+HCOO]- 642.23580 273.7
[M+CH3COO]- 656.25145 277.3
[M+Na-2H]- 618.21227 248.5
[M]+ 597.23705 248.3
[M]- 597.23815 248.3
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.