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 188.7
[M+Na]+ 373.23626 193.7
[M-H]- 349.23976 195.5
[M+NH4]+ 368.28086 199.3
[M+K]+ 389.21020 187.2
[M+H-H2O]+ 333.24430 176.3
[M+HCOO]- 395.24524 203.4
[M+CH3COO]- 409.26089 196.9
[M+Na-2H]- 371.22171 183.7
[M]+ 350.24649 184.8
[M]- 350.24759 184.8
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.