CID 7016418

2,2-bis(4-methoxyphenyl)ethylamine

Structural Information

Molecular Formula
C16H19NO2
SMILES
COC1=CC=C(C=C1)C(CN)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H19NO2/c1-18-14-7-3-12(4-8-14)16(11-17)13-5-9-15(19-2)10-6-13/h3-10,16H,11,17H2,1-2H3
InChIKey
VVTAUYUSSABNDB-UHFFFAOYSA-N
Compound name
2,2-bis(4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

257.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 160.3
[M+Na]+ 280.130788 166.7
[M-H]- 256.134294 166.5
[M+NH4]+ 275.175393 176.6
[M+K]+ 296.104728 163.6
[M+H-H2O]+ 240.138830 152.4
[M+HCOO]- 302.139771 183.9
[M+CH3COO]- 316.155421 199.5
[M+Na-2H]- 278.116236 163.9
[M]+ 257.14102142 161.4
[M]- 257.14211858 161.4
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