CID 105341

66214-54-8

Structural Information

Molecular Formula
C20H22N4O6
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C20H22N4O6/c1-15(25)29-13-11-23(12-14-30-16(2)26)19-7-3-17(4-8-19)21-22-18-5-9-20(10-6-18)24(27)28/h3-10H,11-14H2,1-2H3
InChIKey
MOZMAXZPHVWRTA-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

414.15393 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16121 194.8
[M+Na]+ 437.14315 204.4
[M+NH4]+ 432.18775 199.0
[M+K]+ 453.11709 201.9
[M-H]- 413.14665 199.9
[M+Na-2H]- 435.12860 200.9
[M]+ 414.15338 197.0
[M]- 414.15448 197.0
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