CID 53818

2,2'-((4-propoxy-3-nitrobenzyl)imino)diethanol hydrochloride

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CCCOC1=C(C=C(C=C1)CN(CCO)CCO)[N+](=O)[O-]
InChI
InChI=1S/C14H22N2O5/c1-2-9-21-14-4-3-12(10-13(14)16(19)20)11-15(5-7-17)6-8-18/h3-4,10,17-18H,2,5-9,11H2,1H3
InChIKey
XGGXRCYRQWIEGS-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[(3-nitro-4-propoxyphenyl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15286 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 168.1
[M+Na]+ 321.14208 177.7
[M+NH4]+ 316.18668 173.5
[M+K]+ 337.11602 175.5
[M-H]- 297.14558 169.7
[M+Na-2H]- 319.12753 171.2
[M]+ 298.15231 169.5
[M]- 298.15341 169.5
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.