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
2
Annotation Hits

0
References

0
Patents

328.15353 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16081 176.7
[M+Na]+ 351.14275 181.4
[M-H]- 327.14625 187.1
[M+NH4]+ 346.18735 190.6
[M+K]+ 367.11669 176.3
[M+H-H2O]+ 311.15079 171.0
[M+HCOO]- 373.15173 207.5
[M+CH3COO]- 387.16738 219.7
[M+Na-2H]- 349.12820 183.3
[M]+ 328.15298 179.8
[M]- 328.15408 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