CID 81175

2-[p-[(2,6-dichloro-4-nitrophenyl)azo]-n-ethylanilino]ethanol

Structural Information

Molecular Formula
C16H16Cl2N4O3
SMILES
CCN(CCO)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H16Cl2N4O3/c1-2-21(7-8-23)12-5-3-11(4-6-12)19-20-16-14(17)9-13(22(24)25)10-15(16)18/h3-6,9-10,23H,2,7-8H2,1H3
InChIKey
IZKMDTFNKCYTOU-UHFFFAOYSA-N
Compound name
2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

382.05994 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.06722 189.5
[M+Na]+ 405.04916 195.5
[M-H]- 381.05266 197.5
[M+NH4]+ 400.09376 201.9
[M+K]+ 421.02310 187.3
[M+H-H2O]+ 365.05720 186.3
[M+HCOO]- 427.05814 209.4
[M+CH3COO]- 441.07379 222.8
[M+Na-2H]- 403.03461 193.6
[M]+ 382.05939 194.6
[M]- 382.06049 194.6
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