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]+ 300.14733 172.0
[M+Na]+ 322.12927 177.8
[M-H]- 298.13277 177.9
[M+NH4]+ 317.17387 188.4
[M+K]+ 338.10321 171.9
[M+H-H2O]+ 282.13731 170.1
[M+HCOO]- 344.13825 194.4
[M+CH3COO]- 358.15390 211.5
[M+Na-2H]- 320.11472 174.6
[M]+ 299.13950 176.7
[M]- 299.14060 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.