CID 3077180

Benz(h)isoquinolin-1(2h)-one, 2-((5-methyl-1h-imidazol-4-yl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H15N3O
SMILES
CC1=C(N=CN1)CN2C=CC3=C(C2=O)C4=CC=CC=C4C=C3
InChI
InChI=1S/C18H15N3O/c1-12-16(20-11-19-12)10-21-9-8-14-7-6-13-4-2-3-5-15(13)17(14)18(21)22/h2-9,11H,10H2,1H3,(H,19,20)
InChIKey
LBJFLLRDVFSCMY-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1H-imidazol-4-yl)methyl]benzo[h]isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

289.12152 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 167.4
[M+Na]+ 312.11074 185.2
[M+NH4]+ 307.15534 176.0
[M+K]+ 328.08468 177.8
[M-H]- 288.11424 171.5
[M+Na-2H]- 310.09619 176.2
[M]+ 289.12097 171.3
[M]- 289.12207 171.3
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