CID 77251

3-benzhydrylpyridine

Structural Information

Molecular Formula
C18H15N
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN=CC=C3
InChI
InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
InChIKey
HGVLJGHVYCBNBB-UHFFFAOYSA-N
Compound name
3-benzhydrylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

48
Patents

245.12045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12773 158.2
[M+Na]+ 268.10967 175.8
[M+NH4]+ 263.15427 168.5
[M+K]+ 284.08361 165.6
[M-H]- 244.11317 166.0
[M+Na-2H]- 266.09512 172.3
[M]+ 245.11990 163.3
[M]- 245.12100 163.3
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