CID 75511117

3-[(pyridin-3-yl)amino]-1,2-dihydroisoquinolin-1-one

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C2C(=C1)C=C(NC2=O)NC3=CN=CC=C3
InChI
InChI=1S/C14H11N3O/c18-14-12-6-2-1-4-10(12)8-13(17-14)16-11-5-3-7-15-9-11/h1-9H,(H2,16,17,18)
InChIKey
SQKITEYMEDVJIE-UHFFFAOYSA-N
Compound name
3-(pyridin-3-ylamino)-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 151.8
[M+Na]+ 260.07943 167.8
[M+NH4]+ 255.12403 160.3
[M+K]+ 276.05337 159.4
[M-H]- 236.08293 156.5
[M+Na-2H]- 258.06488 162.1
[M]+ 237.08966 155.4
[M]- 237.09076 155.4
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

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No patent data available for this compound.