CID 86924

17051-01-3

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCC)[O-]
InChI
InChI=1S/C20H26N2O3/c1-3-5-15-24-19-11-7-17(8-12-19)21-22(23)18-9-13-20(14-10-18)25-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKey
DWRXFZDFCLDVQG-UHFFFAOYSA-N
Compound name
(4-butoxyphenyl)-(4-butoxyphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

342.19434 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 185.7
[M+Na]+ 365.18356 189.3
[M-H]- 341.18706 192.7
[M+NH4]+ 360.22816 198.4
[M+K]+ 381.15750 181.8
[M+H-H2O]+ 325.19160 180.5
[M+HCOO]- 387.19254 211.6
[M+CH3COO]- 401.20819 212.8
[M+Na-2H]- 363.16901 190.7
[M]+ 342.19379 188.8
[M]- 342.19489 188.8
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