CID 111851

Einecs 273-135-8

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 180.6
[M+Na]+ 371.08812 185.7
[M-H]- 347.09162 189.3
[M+NH4]+ 366.13272 193.7
[M+K]+ 387.06206 178.4
[M+H-H2O]+ 331.09616 176.3
[M+HCOO]- 393.09710 205.8
[M+CH3COO]- 407.11275 217.6
[M+Na-2H]- 369.07357 186.6
[M]+ 348.09835 184.0
[M]- 348.09945 184.0
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.