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 161.3
[M+Na]+ 300.07616 170.1
[M-H]- 276.07966 168.3
[M+NH4]+ 295.12076 178.4
[M+K]+ 316.05010 165.3
[M+H-H2O]+ 260.08420 154.4
[M+HCOO]- 322.08514 182.3
[M+CH3COO]- 336.10079 201.1
[M+Na-2H]- 298.06161 166.5
[M]+ 277.08639 166.3
[M]- 277.08749 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.