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]+ 343.20162 182.2
[M+Na]+ 365.18356 190.2
[M-H]- 341.18706 188.5
[M+NH4]+ 360.22816 196.3
[M+K]+ 381.15750 185.8
[M+H-H2O]+ 325.19160 173.0
[M+HCOO]- 387.19254 200.3
[M+CH3COO]- 401.20819 210.7
[M+Na-2H]- 363.16901 182.1
[M]+ 342.19379 184.4
[M]- 342.19489 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