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]+ 278.09422 161.6
[M+Na]+ 300.07616 177.2
[M+NH4]+ 295.12076 170.8
[M+K]+ 316.05010 168.3
[M-H]- 276.07966 167.2
[M+Na-2H]- 298.06161 171.3
[M]+ 277.08639 165.9
[M]- 277.08749 165.9
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.