CID 202454

2-(3-(dipropylamino)propoxy)benzhydrol hydrochloride

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCCN(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O
InChI
InChI=1S/C22H31NO2/c1-3-15-23(16-4-2)17-10-18-25-21-14-9-8-13-20(21)22(24)19-11-6-5-7-12-19/h5-9,11-14,22,24H,3-4,10,15-18H2,1-2H3
InChIKey
UGWPXKAHPWXFBC-UHFFFAOYSA-N
Compound name
[2-[3-(dipropylamino)propoxy]phenyl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 187.8
[M+Na]+ 364.22469 190.2
[M-H]- 340.22819 192.9
[M+NH4]+ 359.26929 200.4
[M+K]+ 380.19863 186.5
[M+H-H2O]+ 324.23273 178.4
[M+HCOO]- 386.23367 208.8
[M+CH3COO]- 400.24932 217.6
[M+Na-2H]- 362.21014 188.6
[M]+ 341.23492 190.9
[M]- 341.23602 190.9
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.