CID 44817507

1228077-88-0

Structural Information

Molecular Formula
C20H26N4
SMILES
C1C[C@@H](N(C1)CC2=CC=CC=N2)[C@H]3CCCN3CC4=CC=CC=N4
InChI
InChI=1S/C20H26N4/c1-3-11-21-17(7-1)15-23-13-5-9-19(23)20-10-6-14-24(20)16-18-8-2-4-12-22-18/h1-4,7-8,11-12,19-20H,5-6,9-10,13-16H2/t19-,20-/m1/s1
InChIKey
XMBZMHWNENRJHR-WOJBJXKFSA-N
Compound name
2-[[(2R)-2-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.21576 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22304 178.5
[M+Na]+ 345.20498 182.5
[M-H]- 321.20848 184.8
[M+NH4]+ 340.24958 189.6
[M+K]+ 361.17892 176.6
[M+H-H2O]+ 305.21302 165.8
[M+HCOO]- 367.21396 193.9
[M+CH3COO]- 381.22961 186.9
[M+Na-2H]- 343.19043 176.1
[M]+ 322.21521 173.1
[M]- 322.21631 173.1
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

patents stripe