CID 3052059

F 1621

Structural Information

Molecular Formula
C20H27NO3
SMILES
CC(C)(CC1=CC=CC=C1)NCC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C20H27NO3/c1-20(2,13-15-9-7-6-8-10-15)21-14-16-11-17(22-3)19(24-5)18(12-16)23-4/h6-12,21H,13-14H2,1-5H3
InChIKey
MJUSWELXLMJLOS-UHFFFAOYSA-N
Compound name
2-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 181.0
[M+Na]+ 352.188318 187.0
[M-H]- 328.191824 187.6
[M+NH4]+ 347.232923 195.0
[M+K]+ 368.162258 184.1
[M+H-H2O]+ 312.196360 172.6
[M+HCOO]- 374.197301 203.3
[M+CH3COO]- 388.212951 214.9
[M+Na-2H]- 350.173766 184.9
[M]+ 329.19855142 186.4
[M]- 329.19964858 186.4
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.