CID 199357

4059-26-1

Structural Information

Molecular Formula
C21H27NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)(C(C)CN3CCCC3)O
InChI
InChI=1S/C21H27NO/c1-17-10-6-7-13-20(17)21(23,19-11-4-3-5-12-19)18(2)16-22-14-8-9-15-22/h3-7,10-13,18,23H,8-9,14-16H2,1-2H3
InChIKey
ONWLDWKKGQOZLJ-UHFFFAOYSA-N
Compound name
2-methyl-1-(2-methylphenyl)-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.2
[M+Na]+ 332.19848 180.4
[M-H]- 308.20198 183.2
[M+NH4]+ 327.24308 190.9
[M+K]+ 348.17242 175.4
[M+H-H2O]+ 292.20652 168.5
[M+HCOO]- 354.20746 193.3
[M+CH3COO]- 368.22311 203.8
[M+Na-2H]- 330.18393 177.7
[M]+ 309.20871 173.4
[M]- 309.20981 173.4
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.