CID 592111

N-(3-chlorophenyl)veratrylamine

Structural Information

Molecular Formula
C15H16ClNO2
SMILES
COC1=C(C=C(C=C1)CNC2=CC(=CC=C2)Cl)OC
InChI
InChI=1S/C15H16ClNO2/c1-18-14-7-6-11(8-15(14)19-2)10-17-13-5-3-4-12(16)9-13/h3-9,17H,10H2,1-2H3
InChIKey
VKEREXRSVOKRAK-UHFFFAOYSA-N
Compound name
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.08694 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.094216 161.3
[M+Na]+ 300.076158 170.1
[M-H]- 276.079664 168.3
[M+NH4]+ 295.120763 178.4
[M+K]+ 316.050098 165.3
[M+H-H2O]+ 260.084200 154.4
[M+HCOO]- 322.085141 182.3
[M+CH3COO]- 336.100791 201.1
[M+Na-2H]- 298.061606 166.5
[M]+ 277.08639142 166.3
[M]- 277.08748858 166.3
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.