CID 105899

67874-70-8

Structural Information

Molecular Formula
C24H24N6O8
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)NCC(COC3=CC=CC=C3)O
InChI
InChI=1S/C24H24N6O8/c1-15(31)26-20-11-22(25-13-17(32)14-38-18-6-4-3-5-7-18)24(37-2)12-21(20)28-27-19-9-8-16(29(33)34)10-23(19)30(35)36/h3-12,17,25,32H,13-14H2,1-2H3,(H,26,31)
InChIKey
MYRJIGORVBOITE-UHFFFAOYSA-N
Compound name
N-[2-[(2,4-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

524.1656 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.17288 223.8
[M+Na]+ 547.15482 228.3
[M+NH4]+ 542.19942 231.4
[M+K]+ 563.12876 234.8
[M-H]- 523.15832 220.5
[M+Na-2H]- 545.14027 217.8
[M]+ 524.16505 225.3
[M]- 524.16615 225.3
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

patents stripe