CID 80766

Einecs 228-924-1

Structural Information

Molecular Formula
C17H20N4O3
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C17H20N4O3/c1-4-20(5-2)14-8-6-13(7-9-14)18-19-16-11-10-15(21(22)23)12-17(16)24-3/h6-12H,4-5H2,1-3H3
InChIKey
SXHUBOLNSOIMCA-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(2-methoxy-4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

328.15353 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.160806 176.7
[M+Na]+ 351.142748 181.4
[M-H]- 327.146254 187.1
[M+NH4]+ 346.187353 190.6
[M+K]+ 367.116688 176.3
[M+H-H2O]+ 311.150790 171.0
[M+HCOO]- 373.151731 207.5
[M+CH3COO]- 387.167381 219.7
[M+Na-2H]- 349.128196 183.3
[M]+ 328.15298142 179.8
[M]- 328.15407858 179.8
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

patents stripe