CID 39424372

25h-nbome

Structural Information

Molecular Formula
C18H23NO3
SMILES
COC1=CC(=C(C=C1)OC)CCNCC2=CC=CC=C2OC
InChI
InChI=1S/C18H23NO3/c1-20-16-8-9-18(22-3)14(12-16)10-11-19-13-15-6-4-5-7-17(15)21-2/h4-9,12,19H,10-11,13H2,1-3H3
InChIKey
RMLXCDMTGWSEOU-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

301.1678 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe