CID 3051742

3-phenyl-3-p-hydroxyphenyl-n-(phenylisopropyl)propylamine hydrochloride

Structural Information

Molecular Formula
C24H27NO
SMILES
CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C24H27NO/c1-19(18-20-8-4-2-5-9-20)25-17-16-24(21-10-6-3-7-11-21)22-12-14-23(26)15-13-22/h2-15,19,24-26H,16-18H2,1H3
InChIKey
YHIJKLFNLMLLNV-UHFFFAOYSA-N
Compound name
4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20926 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21654 186.4
[M+Na]+ 368.19848 188.8
[M-H]- 344.20198 193.3
[M+NH4]+ 363.24308 197.5
[M+K]+ 384.17242 182.6
[M+H-H2O]+ 328.20652 176.6
[M+HCOO]- 390.20746 206.3
[M+CH3COO]- 404.22311 215.0
[M+Na-2H]- 366.18393 188.4
[M]+ 345.20871 184.1
[M]- 345.20981 184.1
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.