CID 82770

11106-47-1

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CCC1=CC=C(C=C1)[N+](=NC2=CC=C(C=C2)OC)[O-]
InChI
InChI=1S/C15H16N2O2/c1-3-12-4-8-14(9-5-12)17(18)16-13-6-10-15(19-2)11-7-13/h4-11H,3H2,1-2H3
InChIKey
MCKGGSQKOSKNHA-UHFFFAOYSA-N
Compound name
(4-ethylphenyl)-(4-methoxyphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

256.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 158.5
[M+Na]+ 279.110418 164.5
[M-H]- 255.113924 166.5
[M+NH4]+ 274.155023 174.8
[M+K]+ 295.084358 157.6
[M+H-H2O]+ 239.118460 154.7
[M+HCOO]- 301.119401 186.0
[M+CH3COO]- 315.135051 195.7
[M+Na-2H]- 277.095866 166.1
[M]+ 256.12065142 158.6
[M]- 256.12174858 158.6
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