CID 111851

68938-63-6

Structural Information

Molecular Formula
C16H17ClN4O3
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H17ClN4O3/c1-2-20(9-10-22)14-7-8-16(15(17)11-14)19-18-12-3-5-13(6-4-12)21(23)24/h3-8,11,22H,2,9-10H2,1H3
InChIKey
FCCANCPXZRMTTF-UHFFFAOYSA-N
Compound name
2-[3-chloro-N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0989 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10618 178.8
[M+Na]+ 371.08812 192.1
[M+NH4]+ 366.13272 186.2
[M+K]+ 387.06206 186.8
[M-H]- 347.09162 186.0
[M+Na-2H]- 369.07357 187.2
[M]+ 348.09835 182.8
[M]- 348.09945 182.8
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.