CID 18186

N,n-diethyl-4-((4-nitrophenyl)azo)aniline

Structural Information

Molecular Formula
C16H18N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H18N4O2/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20(21)22/h5-12H,3-4H2,1-2H3
InChIKey
LVQIWDUSUJTZJF-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

298.14297 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 168.6
[M+Na]+ 321.13219 173.1
[M-H]- 297.13569 178.9
[M+NH4]+ 316.17679 183.6
[M+K]+ 337.10613 167.6
[M+H-H2O]+ 281.14023 163.2
[M+HCOO]- 343.14117 199.7
[M+CH3COO]- 357.15682 213.5
[M+Na-2H]- 319.11764 176.3
[M]+ 298.14242 169.8
[M]- 298.14352 169.8
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

patents stripe