CID 5060183

4-chloro-6-nitro-n,n,n',n'-tetraethyl-1,3-phenylenediamine

Structural Information

Molecular Formula
C14H22ClN3O2
SMILES
CCN(CC)C1=CC(=C(C=C1[N+](=O)[O-])Cl)N(CC)CC
InChI
InChI=1S/C14H22ClN3O2/c1-5-16(6-2)12-10-13(17(7-3)8-4)14(18(19)20)9-11(12)15/h9-10H,5-8H2,1-4H3
InChIKey
UUIRKGSCYOKGFD-UHFFFAOYSA-N
Compound name
4-chloro-1-N,1-N,3-N,3-N-tetraethyl-6-nitrobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.14005 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.147326 172.0
[M+Na]+ 322.129268 177.8
[M-H]- 298.132774 177.9
[M+NH4]+ 317.173873 188.4
[M+K]+ 338.103208 171.9
[M+H-H2O]+ 282.137310 170.1
[M+HCOO]- 344.138251 194.4
[M+CH3COO]- 358.153901 211.5
[M+Na-2H]- 320.114716 174.6
[M]+ 299.13950142 176.7
[M]- 299.14059858 176.7
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.