CID 2829606

2-({2-[(4-chloro-2-nitrophenyl)amino]ethyl}amino)ethanol

Structural Information

Molecular Formula
C10H14ClN3O3
SMILES
C1=CC(=C(C=C1Cl)[N+](=O)[O-])NCCNCCO
InChI
InChI=1S/C10H14ClN3O3/c11-8-1-2-9(10(7-8)14(16)17)13-4-3-12-5-6-15/h1-2,7,12-13,15H,3-6H2
InChIKey
JJNARJRYRLCABJ-UHFFFAOYSA-N
Compound name
2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

259.07236 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07964 154.2
[M+Na]+ 282.06158 159.8
[M-H]- 258.06508 156.1
[M+NH4]+ 277.10618 169.8
[M+K]+ 298.03552 151.7
[M+H-H2O]+ 242.06962 153.1
[M+HCOO]- 304.07056 175.7
[M+CH3COO]- 318.08621 190.8
[M+Na-2H]- 280.04703 161.0
[M]+ 259.07181 154.2
[M]- 259.07291 154.2
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.