CID 3086016

75113-54-1

Structural Information

Molecular Formula
C18H22N4O4
SMILES
CCN(CC)C1=C(C=C(C(=C1)OC)N=NC2=CC=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C18H22N4O4/c1-5-21(6-2)16-12-17(25-3)15(11-18(16)26-4)20-19-13-7-9-14(10-8-13)22(23)24/h7-12H,5-6H2,1-4H3
InChIKey
KZWFCAHMEXFXJL-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1641 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17138 184.4
[M+Na]+ 381.15332 196.9
[M+NH4]+ 376.19792 191.0
[M+K]+ 397.12726 192.5
[M-H]- 357.15682 191.7
[M+Na-2H]- 379.13877 192.2
[M]+ 358.16355 188.0
[M]- 358.16465 188.0
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.