CID 116931

70900-43-5

Structural Information

Molecular Formula
C21H24N4O6
SMILES
CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C21H24N4O6/c1-15-14-20(24(10-12-30-16(2)26)11-13-31-17(3)27)8-9-21(15)23-22-18-4-6-19(7-5-18)25(28)29/h4-9,14H,10-13H2,1-3H3
InChIKey
OKNNQIQDIHROSO-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1696 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.17688 201.6
[M+Na]+ 451.15882 203.8
[M-H]- 427.16232 211.4
[M+NH4]+ 446.20342 210.7
[M+K]+ 467.13276 200.0
[M+H-H2O]+ 411.16686 194.9
[M+HCOO]- 473.16780 229.9
[M+CH3COO]- 487.18345 236.1
[M+Na-2H]- 449.14427 204.8
[M]+ 428.16905 207.2
[M]- 428.17015 207.2
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.