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 184.5
[M+Na]+ 381.15332 189.4
[M-H]- 357.15682 195.1
[M+NH4]+ 376.19792 197.3
[M+K]+ 397.12726 184.8
[M+H-H2O]+ 341.16136 178.5
[M+HCOO]- 403.16230 215.1
[M+CH3COO]- 417.17795 226.0
[M+Na-2H]- 379.13877 190.1
[M]+ 358.16355 189.7
[M]- 358.16465 189.7
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.