CID 25113764

Byk204165

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CN1C=CC=C1/C=C\2/C3=CC=CC=C3C(=O)NC2=O
InChI
InChI=1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9-
InChIKey
BTYSIDSTHDDAJW-LCYFTJDESA-N
Compound name
(4Z)-4-[(1-methylpyrrol-2-yl)methylidene]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

73
Patents

252.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 158.1
[M+Na]+ 275.07909 171.7
[M+NH4]+ 270.12369 165.5
[M+K]+ 291.05303 166.3
[M-H]- 251.08259 160.4
[M+Na-2H]- 273.06454 163.6
[M]+ 252.08932 160.5
[M]- 252.09042 160.5
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