CID 44092

62570-20-1

Structural Information

Molecular Formula
C16H17N5O5
SMILES
CCN(CCO)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H17N5O5/c1-2-19(9-10-22)13-5-3-12(4-6-13)17-18-15-8-7-14(20(23)24)11-16(15)21(25)26/h3-8,11,22H,2,9-10H2,1H3
InChIKey
JJZVLVUELJRGGM-UHFFFAOYSA-N
Compound name
2-[4-[(2,4-dinitrophenyl)diazenyl]-N-ethylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.12296 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13024 179.8
[M+Na]+ 382.11218 182.1
[M-H]- 358.11568 188.3
[M+NH4]+ 377.15678 189.9
[M+K]+ 398.08612 172.8
[M+H-H2O]+ 342.12022 178.2
[M+HCOO]- 404.12116 209.1
[M+CH3COO]- 418.13681 215.5
[M+Na-2H]- 380.09763 188.1
[M]+ 359.12241 178.8
[M]- 359.12351 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.