CID 4521910

N~1~,n~2~-dimethyl-n~1~,n~2~-bis(4-nitrophenyl)-1,2-ethanediamine

Structural Information

Molecular Formula
C16H18N4O4
SMILES
CN(CCN(C)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H18N4O4/c1-17(13-3-7-15(8-4-13)19(21)22)11-12-18(2)14-5-9-16(10-6-14)20(23)24/h3-10H,11-12H2,1-2H3
InChIKey
AUWHSUNDMFBOIV-UHFFFAOYSA-N
Compound name
N,N'-dimethyl-N,N'-bis(4-nitrophenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

330.1328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 177.8
[M+Na]+ 353.12202 190.3
[M+NH4]+ 348.16662 184.7
[M+K]+ 369.09596 202.0
[M-H]- 329.12552 185.5
[M+Na-2H]- 351.10747 185.3
[M]+ 330.13225 181.4
[M]- 330.13335 181.4
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

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