CID 3607076

6-methoxy-alpha-(4-nitrophenylimino)-o-cresol

Structural Information

Molecular Formula
C14H12N2O4
SMILES
COC1=CC=CC(=C1O)C=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O4/c1-20-13-4-2-3-10(14(13)17)9-15-11-5-7-12(8-6-11)16(18)19/h2-9,17H,1H3
InChIKey
FZKRJJCWTXXELC-UHFFFAOYSA-N
Compound name
2-methoxy-6-[(4-nitrophenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0797 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 158.5
[M+Na]+ 295.06892 165.4
[M-H]- 271.07242 165.7
[M+NH4]+ 290.11352 173.5
[M+K]+ 311.04286 158.4
[M+H-H2O]+ 255.07696 155.0
[M+HCOO]- 317.07790 185.4
[M+CH3COO]- 331.09355 194.2
[M+Na-2H]- 293.05437 165.9
[M]+ 272.07915 158.8
[M]- 272.08025 158.8
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.