CID 3052065

Phenethylamine, 4-chloro-alpha,alpha-dimethyl-n-veratryl-

Structural Information

Molecular Formula
C19H24ClNO2
SMILES
CC(C)(CC1=CC=C(C=C1)Cl)NCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H24ClNO2/c1-19(2,12-14-5-8-16(20)9-6-14)21-13-15-7-10-17(22-3)18(11-15)23-4/h5-11,21H,12-13H2,1-4H3
InChIKey
VZTHQLDKOOVMLE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14957 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15685 180.3
[M+Na]+ 356.13879 187.8
[M-H]- 332.14229 186.9
[M+NH4]+ 351.18339 195.1
[M+K]+ 372.11273 182.5
[M+H-H2O]+ 316.14683 173.0
[M+HCOO]- 378.14777 198.2
[M+CH3COO]- 392.16342 213.5
[M+Na-2H]- 354.12424 184.1
[M]+ 333.14902 186.2
[M]- 333.15012 186.2
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.