CID 4367660

N,n-bis(2-hydroxyethyl)-n'-(4,5-dichloro-2-nitrophenyl)ethylenediamine

Structural Information

Molecular Formula
C12H17Cl2N3O4
SMILES
C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])NCCN(CCO)CCO
InChI
InChI=1S/C12H17Cl2N3O4/c13-9-7-11(12(17(20)21)8-10(9)14)15-1-2-16(3-5-18)4-6-19/h7-8,15,18-19H,1-6H2
InChIKey
CNQWRZRBVOAZQM-UHFFFAOYSA-N
Compound name
2-[2-(4,5-dichloro-2-nitroanilino)ethyl-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0596 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06688 173.0
[M+Na]+ 360.04882 178.2
[M-H]- 336.05232 174.1
[M+NH4]+ 355.09342 185.9
[M+K]+ 376.02276 169.7
[M+H-H2O]+ 320.05686 172.7
[M+HCOO]- 382.05780 187.9
[M+CH3COO]- 396.07345 205.2
[M+Na-2H]- 358.03427 176.2
[M]+ 337.05905 175.9
[M]- 337.06015 175.9
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.