CID 24813216

1228077-89-1

Structural Information

Molecular Formula
C22H30N4
SMILES
CC1=NC(=CC=C1)CN2CCC[C@@H]2[C@H]3CCCN3CC4=CC=CC(=N4)C
InChI
InChI=1S/C22H30N4/c1-17-7-3-9-19(23-17)15-25-13-5-11-21(25)22-12-6-14-26(22)16-20-10-4-8-18(2)24-20/h3-4,7-10,21-22H,5-6,11-16H2,1-2H3/t21-,22-/m1/s1
InChIKey
SXBLLUAXFAKRPB-FGZHOGPDSA-N
Compound name
2-methyl-6-[[(2R)-2-[(2R)-1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.24704 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.25432 189.4
[M+Na]+ 373.23626 202.5
[M+NH4]+ 368.28086 196.9
[M+K]+ 389.21020 197.6
[M-H]- 349.23976 195.2
[M+Na-2H]- 371.22171 197.2
[M]+ 350.24649 192.9
[M]- 350.24759 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.