CID 214138

Alpha-(2-(diethylamino)-1-((isopentyloxy)methyl)ethyl)benzhydrol fumarate (1:1)

Structural Information

Molecular Formula
C25H37NO2
SMILES
CCN(CC)CC(COCCC(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C25H37NO2/c1-5-26(6-2)19-24(20-28-18-17-21(3)4)25(27,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24,27H,5-6,17-20H2,1-4H3
InChIKey
XGMYBJFFDXWLII-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)-3-(3-methylbutoxy)-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.28244 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.28972 200.8
[M+Na]+ 406.27166 201.0
[M-H]- 382.27516 205.3
[M+NH4]+ 401.31626 211.3
[M+K]+ 422.24560 197.8
[M+H-H2O]+ 366.27970 191.4
[M+HCOO]- 428.28064 218.2
[M+CH3COO]- 442.29629 226.5
[M+Na-2H]- 404.25711 200.5
[M]+ 383.28189 203.4
[M]- 383.28299 203.4
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.