CID 11140152

104516-93-0

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CCN(CCO)C1=CC(=C(C=C1)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C12H19N3O4/c1-2-14(6-8-17)10-3-4-11(13-5-7-16)12(9-10)15(18)19/h3-4,9,13,16-17H,2,5-8H2,1H3
InChIKey
SSRBPSAPLFYFAX-UHFFFAOYSA-N
Compound name
2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2359
Patents

269.13754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 159.9
[M+Na]+ 292.12676 169.1
[M+NH4]+ 287.17136 165.6
[M+K]+ 308.10070 167.2
[M-H]- 268.13026 162.3
[M+Na-2H]- 290.11221 163.6
[M]+ 269.13699 161.4
[M]- 269.13809 161.4
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

patents stripe