CID 199419

4150-96-3

Structural Information

Molecular Formula
C21H27NO
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C)CN3CCCC3)O
InChI
InChI=1S/C21H27NO/c1-17-10-12-20(13-11-17)21(23,19-8-4-3-5-9-19)18(2)16-22-14-6-7-15-22/h3-5,8-13,18,23H,6-7,14-16H2,1-2H3
InChIKey
KRTKWNFZWIMZGF-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-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]+ 310.216536 177.2
[M+Na]+ 332.198478 180.4
[M-H]- 308.201984 183.2
[M+NH4]+ 327.243083 190.9
[M+K]+ 348.172418 175.4
[M+H-H2O]+ 292.206520 168.5
[M+HCOO]- 354.207461 193.3
[M+CH3COO]- 368.223111 203.8
[M+Na-2H]- 330.183926 177.7
[M]+ 309.20871142 173.4
[M]- 309.20980858 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.