CID 3084885

43042-08-6

Structural Information

Molecular Formula
C23H21ClN4O4
SMILES
CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C23H21ClN4O4/c1-2-27(14-15-32-23(29)17-6-4-3-5-7-17)19-10-8-18(9-11-19)25-26-22-13-12-20(28(30)31)16-21(22)24/h3-13,16H,2,14-15H2,1H3
InChIKey
NLEMXDVTBJHROX-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.12512 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.13240 209.9
[M+Na]+ 475.11434 212.8
[M-H]- 451.11784 222.1
[M+NH4]+ 470.15894 218.3
[M+K]+ 491.08828 205.4
[M+H-H2O]+ 435.12238 202.7
[M+HCOO]- 497.12332 234.4
[M+CH3COO]- 511.13897 238.0
[M+Na-2H]- 473.09979 214.2
[M]+ 452.12457 214.8
[M]- 452.12567 214.8
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.