CID 212721

1,1-diphenyl-2-methyl-3-(3,4,5-trimethoxybenzylamino)propanol hydrochloride

Structural Information

Molecular Formula
C26H31NO4
SMILES
CC(CNCC1=CC(=C(C(=C1)OC)OC)OC)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C26H31NO4/c1-19(17-27-18-20-15-23(29-2)25(31-4)24(16-20)30-3)26(28,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,27-28H,17-18H2,1-4H3
InChIKey
MATGTWORJDFRET-UHFFFAOYSA-N
Compound name
2-methyl-1,1-diphenyl-3-[(3,4,5-trimethoxyphenyl)methylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2253 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.232576 204.9
[M+Na]+ 444.214518 208.3
[M-H]- 420.218024 212.5
[M+NH4]+ 439.259123 213.3
[M+K]+ 460.188458 204.3
[M+H-H2O]+ 404.222560 194.5
[M+HCOO]- 466.223501 223.9
[M+CH3COO]- 480.239151 229.2
[M+Na-2H]- 442.199966 206.7
[M]+ 421.22475142 208.4
[M]- 421.22584858 208.4
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.