CID 270204

29644-87-9

Structural Information

Molecular Formula
C14H12N2O4
SMILES
COC1=CC=C(C=C1)C=NC2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H12N2O4/c1-20-12-5-2-10(3-6-12)9-15-13-7-4-11(16(18)19)8-14(13)17/h2-9,17H,1H3
InChIKey
UCPKDZRIVQBHHI-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methylideneamino]-5-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0797 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 158.5
[M+Na]+ 295.068918 165.4
[M-H]- 271.072424 165.7
[M+NH4]+ 290.113523 173.5
[M+K]+ 311.042858 158.4
[M+H-H2O]+ 255.076960 155.0
[M+HCOO]- 317.077901 185.4
[M+CH3COO]- 331.093551 194.2
[M+Na-2H]- 293.054366 165.9
[M]+ 272.07915142 158.8
[M]- 272.08024858 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.