CID 3058144

74650-41-2

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CC1([C@@H](C[C@H](N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=NC=C3)C
InChI
InChI=1S/C20H26N2O3/c1-20(2)15(13-6-8-21-9-7-13)12-16(22-20)14-10-17(23-3)19(25-5)18(11-14)24-4/h6-11,15-16,22H,12H2,1-5H3/t15-,16-/m0/s1
InChIKey
ZIISINBQEJDUBQ-HOTGVXAUSA-N
Compound name
4-[(3S,5S)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.201616 182.2
[M+Na]+ 365.183558 190.2
[M-H]- 341.187064 188.5
[M+NH4]+ 360.228163 196.3
[M+K]+ 381.157498 185.8
[M+H-H2O]+ 325.191600 173.0
[M+HCOO]- 387.192541 200.3
[M+CH3COO]- 401.208191 210.7
[M+Na-2H]- 363.169006 182.1
[M]+ 342.19379142 184.4
[M]- 342.19488858 184.4
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

patents stripe