CID 202456

2-(3-(dibutylamino)propoxy)benzhydrol hydrobromide

Structural Information

Molecular Formula
C24H35NO2
SMILES
CCCCN(CCCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O
InChI
InChI=1S/C24H35NO2/c1-3-5-17-25(18-6-4-2)19-12-20-27-23-16-11-10-15-22(23)24(26)21-13-8-7-9-14-21/h7-11,13-16,24,26H,3-6,12,17-20H2,1-2H3
InChIKey
BFKBXLIPOLYMCL-UHFFFAOYSA-N
Compound name
[2-[3-(dibutylamino)propoxy]phenyl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.26678 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.27406 196.9
[M+Na]+ 392.25600 198.3
[M-H]- 368.25950 201.5
[M+NH4]+ 387.30060 208.3
[M+K]+ 408.22994 194.2
[M+H-H2O]+ 352.26404 187.0
[M+HCOO]- 414.26498 217.2
[M+CH3COO]- 428.28063 223.5
[M+Na-2H]- 390.24145 196.6
[M]+ 369.26623 200.6
[M]- 369.26733 200.6
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.