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]+ 285.144476 163.9
[M+Na]+ 307.126418 168.1
[M-H]- 283.129924 165.8
[M+NH4]+ 302.171023 177.8
[M+K]+ 323.100358 162.7
[M+H-H2O]+ 267.134460 161.2
[M+HCOO]- 329.135401 187.3
[M+CH3COO]- 343.151051 196.1
[M+Na-2H]- 305.111866 168.5
[M]+ 284.13665142 165.7
[M]- 284.13774858 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.