CID 3039250

1-piperidinepropanol, alpha,alpha-bis(p-(dimethylamino)phenyl)-, trihydrochloride

Structural Information

Molecular Formula
C24H35N3O
SMILES
CN(C)C1=CC=C(C=C1)C(CCN2CCCCC2)(C3=CC=C(C=C3)N(C)C)O
InChI
InChI=1S/C24H35N3O/c1-25(2)22-12-8-20(9-13-22)24(28,16-19-27-17-6-5-7-18-27)21-10-14-23(15-11-21)26(3)4/h8-15,28H,5-7,16-19H2,1-4H3
InChIKey
ZZUVMHKPKTXLJD-UHFFFAOYSA-N
Compound name
1,1-bis[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.278 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.28528 196.0
[M+Na]+ 404.26722 196.6
[M-H]- 380.27072 203.7
[M+NH4]+ 399.31182 205.5
[M+K]+ 420.24116 193.3
[M+H-H2O]+ 364.27526 185.0
[M+HCOO]- 426.27620 212.7
[M+CH3COO]- 440.29185 230.2
[M+Na-2H]- 402.25267 196.9
[M]+ 381.27745 193.0
[M]- 381.27855 193.0
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.