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 196.8
[M+Na]+ 437.14315 198.5
[M-H]- 413.14665 206.4
[M+NH4]+ 432.18775 206.2
[M+K]+ 453.11709 194.8
[M+H-H2O]+ 397.15119 190.0
[M+HCOO]- 459.15213 225.5
[M+CH3COO]- 473.16778 231.9
[M+Na-2H]- 435.12860 201.1
[M]+ 414.15338 201.6
[M]- 414.15448 201.6
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