CID 5072432

3-chloro-n-(3,4-dimethoxybenzylidene)aniline

Structural Information

Molecular Formula
C15H14ClNO2
SMILES
COC1=C(C=C(C=C1)C=NC2=CC(=CC=C2)Cl)OC
InChI
InChI=1S/C15H14ClNO2/c1-18-14-7-6-11(8-15(14)19-2)10-17-13-5-3-4-12(16)9-13/h3-10H,1-2H3
InChIKey
OTDUGEHDBVJQHU-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07132 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07860 160.4
[M+Na]+ 298.06054 170.0
[M-H]- 274.06404 168.8
[M+NH4]+ 293.10514 178.2
[M+K]+ 314.03448 165.5
[M+H-H2O]+ 258.06858 153.2
[M+HCOO]- 320.06952 183.0
[M+CH3COO]- 334.08517 202.2
[M+Na-2H]- 296.04599 166.0
[M]+ 275.07077 166.4
[M]- 275.07187 166.4
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.