CID 307887

2-{(e)-[(4-methylphenyl)imino]methyl}-4-nitrophenol

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=CC=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H12N2O3/c1-10-2-4-12(5-3-10)15-9-11-8-13(16(18)19)6-7-14(11)17/h2-9,17H,1H3
InChIKey
HYUCVMBEWMZQEB-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)iminomethyl]-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

256.08478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.9
[M+Na]+ 279.07400 170.8
[M+NH4]+ 274.11860 164.0
[M+K]+ 295.04794 165.9
[M-H]- 255.07750 162.1
[M+Na-2H]- 277.05945 164.8
[M]+ 256.08423 159.7
[M]- 256.08533 159.7
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