CID 91895252

Disperse red 74

Structural Information

Molecular Formula
C22H25N5O7
SMILES
CC(=O)NC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C22H25N5O7/c1-15(28)23-21-14-19(6-9-22(21)27(31)32)25-24-18-4-7-20(8-5-18)26(10-12-33-16(2)29)11-13-34-17(3)30/h4-9,14H,10-13H2,1-3H3,(H,23,28)
InChIKey
AQMBXXOAUHJZIT-UHFFFAOYSA-N
Compound name
2-[4-[(3-acetamido-4-nitrophenyl)diazenyl]-N-(2-acetyloxyethyl)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.17538 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18266 207.5
[M+Na]+ 494.16460 214.9
[M+NH4]+ 489.20920 209.8
[M+K]+ 510.13854 213.9
[M-H]- 470.16810 211.8
[M+Na-2H]- 492.15005 211.8
[M]+ 471.17483 208.9
[M]- 471.17593 208.9
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.