CID 603590

N-vanillylidenebenzidine

Structural Information

Molecular Formula
C20H18N2O2
SMILES
COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)C3=CC=C(C=C3)N)O
InChI
InChI=1S/C20H18N2O2/c1-24-20-12-14(2-11-19(20)23)13-22-18-9-5-16(6-10-18)15-3-7-17(21)8-4-15/h2-13,23H,21H2,1H3
InChIKey
VMJWAYOXEYWYGB-UHFFFAOYSA-N
Compound name
4-[[4-(4-aminophenyl)phenyl]iminomethyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 175.6
[M+Na]+ 341.12606 183.1
[M-H]- 317.12956 185.3
[M+NH4]+ 336.17066 189.0
[M+K]+ 357.10000 177.5
[M+H-H2O]+ 301.13410 166.0
[M+HCOO]- 363.13504 201.2
[M+CH3COO]- 377.15069 212.8
[M+Na-2H]- 339.11151 179.8
[M]+ 318.13629 175.3
[M]- 318.13739 175.3
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.