CID 11346903

(s)-2-[bis(3,5-dimethylphenyl)methyl]pyrrolidine

Structural Information

Molecular Formula
C21H27N
SMILES
CC1=CC(=CC(=C1)C([C@@H]2CCCN2)C3=CC(=CC(=C3)C)C)C
InChI
InChI=1S/C21H27N/c1-14-8-15(2)11-18(10-14)21(20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20-22H,5-7H2,1-4H3/t20-/m0/s1
InChIKey
PHKHWUVAUXBNPC-FQEVSTJZSA-N
Compound name
(2S)-2-[bis(3,5-dimethylphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

293.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 175.3
[M+Na]+ 316.20358 189.4
[M+NH4]+ 311.24818 184.4
[M+K]+ 332.17752 182.3
[M-H]- 292.20708 181.5
[M+Na-2H]- 314.18903 183.3
[M]+ 293.21381 179.2
[M]- 293.21491 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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