CID 964993

N-(3,4-dimethoxybenzylidene)-p-toluidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.12593 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 157.8
[M+Na]+ 278.11515 166.2
[M-H]- 254.11865 166.3
[M+NH4]+ 273.15975 175.6
[M+K]+ 294.08909 163.3
[M+H-H2O]+ 238.12319 149.7
[M+HCOO]- 300.12413 184.7
[M+CH3COO]- 314.13978 201.5
[M+Na-2H]- 276.10060 163.5
[M]+ 255.12538 162.0
[M]- 255.12648 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe