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 141.7
[M+Na]+ 228.07435 148.6
[M-H]- 204.07785 144.3
[M+NH4]+ 223.11895 159.5
[M+K]+ 244.04829 145.9
[M+H-H2O]+ 188.08239 134.6
[M+HCOO]- 250.08333 163.0
[M+CH3COO]- 264.09898 189.4
[M+Na-2H]- 226.05980 148.0
[M]+ 205.08458 137.6
[M]- 205.08568 137.6
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.