CID 3049043

4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-1-phenylpropyl)phenol hydrochloride

Structural Information

Molecular Formula
C25H29NO3
SMILES
COC1=C(C=C(C=C1)CCNCCC(C2=CC=CC=C2)C3=CC=C(C=C3)O)OC
InChI
InChI=1S/C25H29NO3/c1-28-24-13-8-19(18-25(24)29-2)14-16-26-17-15-23(20-6-4-3-5-7-20)21-9-11-22(27)12-10-21/h3-13,18,23,26-27H,14-17H2,1-2H3
InChIKey
NPQOMYSLIQKBBV-UHFFFAOYSA-N
Compound name
4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.21475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22203 197.7
[M+Na]+ 414.20397 201.3
[M-H]- 390.20747 205.1
[M+NH4]+ 409.24857 207.3
[M+K]+ 430.17791 196.1
[M+H-H2O]+ 374.21201 187.1
[M+HCOO]- 436.21295 218.5
[M+CH3COO]- 450.22860 223.6
[M+Na-2H]- 412.18942 198.8
[M]+ 391.21420 199.9
[M]- 391.21530 199.9
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.