CID 1988065

Anisyl homoveratrylamine hydrochloride

Structural Information

Molecular Formula
C18H23NO3
SMILES
COC1=CC=C(C=C1)CNCCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C18H23NO3/c1-20-16-7-4-15(5-8-16)13-19-11-10-14-6-9-17(21-2)18(12-14)22-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKey
KTPSBVMIEJBPRD-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

301.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.5
[M+Na]+ 324.15702 178.0
[M-H]- 300.16052 178.1
[M+NH4]+ 319.20162 186.5
[M+K]+ 340.13096 175.0
[M+H-H2O]+ 284.16506 162.9
[M+HCOO]- 346.16600 196.1
[M+CH3COO]- 360.18165 208.5
[M+Na-2H]- 322.14247 175.6
[M]+ 301.16725 176.7
[M]- 301.16835 176.7
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

patents stripe