CID 161687

Benzenamine, 4-((2-chloro-4-nitrophenyl)azo)-n-ethyl-n-(2-phenoxyethyl)-

Structural Information

Molecular Formula
C22H21ClN4O3
SMILES
CCN(CCOC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C22H21ClN4O3/c1-2-26(14-15-30-20-6-4-3-5-7-20)18-10-8-17(9-11-18)24-25-22-13-12-19(27(28)29)16-21(22)23/h3-13,16H,2,14-15H2,1H3
InChIKey
FPZLDEMJTIKTJQ-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-phenoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

424.13022 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.13750 203.5
[M+Na]+ 447.11944 207.1
[M-H]- 423.12294 215.7
[M+NH4]+ 442.16404 213.3
[M+K]+ 463.09338 199.1
[M+H-H2O]+ 407.12748 196.4
[M+HCOO]- 469.12842 228.9
[M+CH3COO]- 483.14407 233.8
[M+Na-2H]- 445.10489 209.1
[M]+ 424.12967 208.1
[M]- 424.13077 208.1
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.