CID 217645

39113-24-1

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1C2=CC=CC=C2CN(C1=O)NC(=O)N
InChI
InChI=1S/C10H11N3O2/c11-10(15)12-13-6-8-4-2-1-3-7(8)5-9(13)14/h1-4H,5-6H2,(H3,11,12,15)
InChIKey
OXQPATYLTQYJOS-UHFFFAOYSA-N
Compound name
(3-oxo-1,4-dihydroisoquinolin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.8
[M+Na]+ 228.07435 153.1
[M+NH4]+ 223.11895 150.2
[M+K]+ 244.04829 148.0
[M-H]- 204.07785 144.8
[M+Na-2H]- 226.05980 147.5
[M]+ 205.08458 144.4
[M]- 205.08568 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.