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

27
Patents

256.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.5
[M+Na]+ 279.11042 164.5
[M-H]- 255.11392 166.5
[M+NH4]+ 274.15502 174.8
[M+K]+ 295.08436 157.6
[M+H-H2O]+ 239.11846 154.7
[M+HCOO]- 301.11940 186.0
[M+CH3COO]- 315.13505 195.7
[M+Na-2H]- 277.09587 166.1
[M]+ 256.12065 158.6
[M]- 256.12175 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