CID 693352

N-vanillylidene-2,4-xylidine

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=CC(=C(C=C1)N=CC2=CC(=C(C=C2)O)OC)C
InChI
InChI=1S/C16H17NO2/c1-11-4-6-14(12(2)8-11)17-10-13-5-7-15(18)16(9-13)19-3/h4-10,18H,1-3H3
InChIKey
QFGLIEJJTFWIAW-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.12593 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 157.9
[M+Na]+ 278.11515 166.8
[M-H]- 254.11865 165.5
[M+NH4]+ 273.15975 175.3
[M+K]+ 294.08909 163.1
[M+H-H2O]+ 238.12319 150.4
[M+HCOO]- 300.12413 183.3
[M+CH3COO]- 314.13978 200.2
[M+Na-2H]- 276.10060 162.4
[M]+ 255.12538 160.7
[M]- 255.12648 160.7
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