CID 4229824

115091-29-7

Structural Information

Molecular Formula
C27H35N3
SMILES
CC(C)(C)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3
InChIKey
QMABMHJGSFUTPF-UHFFFAOYSA-N
Compound name
4-tert-butyl-2,6-bis(4-tert-butylpyridin-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

154
Patents

401.2831 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.29038 207.1
[M+Na]+ 424.27232 214.3
[M-H]- 400.27582 212.9
[M+NH4]+ 419.31692 214.5
[M+K]+ 440.24626 207.8
[M+H-H2O]+ 384.28036 196.1
[M+HCOO]- 446.28130 219.1
[M+CH3COO]- 460.29695 228.6
[M+Na-2H]- 422.25777 210.5
[M]+ 401.28255 208.9
[M]- 401.28365 208.9
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

patents stripe