CID 214069

27674-50-6

Structural Information

Molecular Formula
C25H35NO2
SMILES
CC(C)CCOCC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C25H35NO2/c1-21(2)15-18-28-20-24(19-26-16-9-10-17-26)25(27,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,21,24,27H,9-10,15-20H2,1-2H3
InChIKey
IHXGENLLTYBZTD-UHFFFAOYSA-N
Compound name
2-(3-methylbutoxymethyl)-1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.26678 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.27406 198.1
[M+Na]+ 404.25600 198.0
[M-H]- 380.25950 202.9
[M+NH4]+ 399.30060 208.2
[M+K]+ 420.22994 193.2
[M+H-H2O]+ 364.26404 188.3
[M+HCOO]- 426.26498 211.8
[M+CH3COO]- 440.28063 217.2
[M+Na-2H]- 402.24145 196.1
[M]+ 381.26623 195.8
[M]- 381.26733 195.8
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.