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]+ 330.20638 181.0
[M+Na]+ 352.18832 187.0
[M-H]- 328.19182 187.6
[M+NH4]+ 347.23292 195.0
[M+K]+ 368.16226 184.1
[M+H-H2O]+ 312.19636 172.6
[M+HCOO]- 374.19730 203.3
[M+CH3COO]- 388.21295 214.9
[M+Na-2H]- 350.17377 184.9
[M]+ 329.19855 186.4
[M]- 329.19965 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.