CID 77171

3618-65-3

Structural Information

Molecular Formula
C24H28N6O10
SMILES
CCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)N(CCOC(=O)C)CCOC(=O)C
InChI
InChI=1S/C24H28N6O10/c1-5-38-24-14-21(27-26-19-7-6-18(29(34)35)12-22(19)30(36)37)20(25-15(2)31)13-23(24)28(8-10-39-16(3)32)9-11-40-17(4)33/h6-7,12-14H,5,8-11H2,1-4H3,(H,25,31)
InChIKey
IZFIERQAGQRBQN-UHFFFAOYSA-N
Compound name
2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2,4-dinitrophenyl)diazenyl]-2-ethoxyanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.1867 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.19398 231.4
[M+Na]+ 583.17592 236.3
[M+NH4]+ 578.22052 239.5
[M+K]+ 599.14986 243.8
[M-H]- 559.17942 228.5
[M+Na-2H]- 581.16137 224.8
[M]+ 560.18615 233.5
[M]- 560.18725 233.5
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.