CID 3060416

78110-01-7

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(CNC1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO/c1-17(16-22-20-14-8-9-15-20)21(23,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20,22-23H,8-9,14-16H2,1H3
InChIKey
QXHBRWJIDOJIKQ-UHFFFAOYSA-N
Compound name
3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 175.7
[M+Na]+ 332.198478 177.1
[M-H]- 308.201984 182.5
[M+NH4]+ 327.243083 190.0
[M+K]+ 348.172418 172.1
[M+H-H2O]+ 292.206520 167.5
[M+HCOO]- 354.207461 194.1
[M+CH3COO]- 368.223111 205.0
[M+Na-2H]- 330.183926 177.5
[M]+ 309.20871142 170.3
[M]- 309.20980858 170.3
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.