CID 946981

Ethanol, 2,2'-((4-ethoxy-3-nitrobenzyl)imino)di-, hydrochloride

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CCOC1=C(C=C(C=C1)CN(CCO)CCO)[N+](=O)[O-]
InChI
InChI=1S/C13H20N2O5/c1-2-20-13-4-3-11(9-12(13)15(18)19)10-14(5-7-16)6-8-17/h3-4,9,16-17H,2,5-8,10H2,1H3
InChIKey
WDHAPBCTNBWNPR-UHFFFAOYSA-N
Compound name
2-[(4-ethoxy-3-nitrophenyl)methyl-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

284.1372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 163.9
[M+Na]+ 307.12642 168.1
[M-H]- 283.12992 165.8
[M+NH4]+ 302.17102 177.8
[M+K]+ 323.10036 162.7
[M+H-H2O]+ 267.13446 161.2
[M+HCOO]- 329.13540 187.3
[M+CH3COO]- 343.15105 196.1
[M+Na-2H]- 305.11187 168.5
[M]+ 284.13665 165.7
[M]- 284.13775 165.7
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.