CID 57809036

Bms-770767

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
C1CC2(CCC1(C2)C3=NN=C4N3C=CC=C4OC5=CC=CC=C5Cl)O
InChI
InChI=1S/C19H18ClN3O2/c20-13-4-1-2-5-14(13)25-15-6-3-11-23-16(15)21-22-17(23)18-7-9-19(24,12-18)10-8-18/h1-6,11,24H,7-10,12H2
InChIKey
HNXGIFYHJKEXNA-UHFFFAOYSA-N
Compound name
4-[8-(2-chlorophenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

355.10876 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 177.4
[M+Na]+ 378.09798 191.3
[M+NH4]+ 373.14258 189.1
[M+K]+ 394.07192 185.0
[M-H]- 354.10148 180.8
[M+Na-2H]- 376.08343 185.7
[M]+ 355.10821 181.0
[M]- 355.10931 181.0
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