CID 9875868

122413-32-5

Structural Information

Molecular Formula
C27H30N6O
SMILES
C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC(CN(CC3=CC=CC=N3)CC4=CC=CC=N4)O
InChI
InChI=1S/C27H30N6O/c34-27(21-32(17-23-9-1-5-13-28-23)18-24-10-2-6-14-29-24)22-33(19-25-11-3-7-15-30-25)20-26-12-4-8-16-31-26/h1-16,27,34H,17-22H2
InChIKey
XLUMWNJFCFABKI-UHFFFAOYSA-N
Compound name
1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

51
References

51
Patents

454.2481 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.25538 210.8
[M+Na]+ 477.23732 225.2
[M+NH4]+ 472.28192 216.4
[M+K]+ 493.21126 216.4
[M-H]- 453.24082 218.5
[M+Na-2H]- 475.22277 223.9
[M]+ 454.24755 215.0
[M]- 454.24865 215.0
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