CID 3039857

3-dimethylamino-1-(4'-benzyloxyphenyl)-1-benzylpropan-1-ol hydrochloride

Structural Information

Molecular Formula
C25H29NO2
SMILES
CN(C)CCC(CC1=CC=CC=C1)(C2=CC=C(C=C2)OCC3=CC=CC=C3)O
InChI
InChI=1S/C25H29NO2/c1-26(2)18-17-25(27,19-21-9-5-3-6-10-21)23-13-15-24(16-14-23)28-20-22-11-7-4-8-12-22/h3-16,27H,17-20H2,1-2H3
InChIKey
UPZXLKYHXFORNZ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-phenyl-2-(4-phenylmethoxyphenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22710 194.3
[M+Na]+ 398.20904 197.2
[M-H]- 374.21254 202.6
[M+NH4]+ 393.25364 204.9
[M+K]+ 414.18298 192.4
[M+H-H2O]+ 358.21708 184.0
[M+HCOO]- 420.21802 214.8
[M+CH3COO]- 434.23367 222.0
[M+Na-2H]- 396.19449 198.1
[M]+ 375.21927 195.6
[M]- 375.22037 195.6
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.