CID 20663

Ethanol, 2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bis-

Structural Information

Molecular Formula
C16H17ClN4O4
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N(CCO)CCO)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H17ClN4O4/c17-15-11-14(20(7-9-22)8-10-23)5-6-16(15)19-18-12-1-3-13(4-2-12)21(24)25/h1-6,11,22-23H,7-10H2
InChIKey
ZVROYWXEJXXQGA-UHFFFAOYSA-N
Compound name
2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

230
Patents

364.09384 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10112 181.9
[M+Na]+ 387.08306 186.4
[M-H]- 363.08656 189.4
[M+NH4]+ 382.12766 193.6
[M+K]+ 403.05700 179.0
[M+H-H2O]+ 347.09110 177.8
[M+HCOO]- 409.09204 205.9
[M+CH3COO]- 423.10769 217.2
[M+Na-2H]- 385.06851 187.9
[M]+ 364.09329 184.9
[M]- 364.09439 184.9
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