CID 3042633

60151-19-1

Structural Information

Molecular Formula
C16H15N3O
SMILES
C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CN=CC=C4)O
InChI
InChI=1S/C16H15N3O/c20-16(13-5-3-7-17-11-13)10-12-4-1-2-6-14(12)15-18-8-9-19(15)16/h1-7,11,20H,8-10H2
InChIKey
BIFCBKSJQUDNEM-UHFFFAOYSA-N
Compound name
5-pyridin-3-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

265.12152 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 161.4
[M+Na]+ 288.11074 170.3
[M-H]- 264.11424 164.6
[M+NH4]+ 283.15534 178.6
[M+K]+ 304.08468 164.2
[M+H-H2O]+ 248.11878 151.4
[M+HCOO]- 310.11972 177.3
[M+CH3COO]- 324.13537 172.1
[M+Na-2H]- 286.09619 168.2
[M]+ 265.12097 158.7
[M]- 265.12207 158.7
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