CID 217646

Brn 1492916

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C1C2=CC=CC=C2CN(C1=O)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H15N3O2/c20-15-10-12-6-4-5-7-13(12)11-19(15)18-16(21)17-14-8-2-1-3-9-14/h1-9H,10-11H2,(H2,17,18,21)
InChIKey
PCJPYCYVMVMGBU-UHFFFAOYSA-N
Compound name
1-(3-oxo-1,4-dihydroisoquinolin-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.2
[M+Na]+ 304.10564 176.6
[M+NH4]+ 299.15024 172.0
[M+K]+ 320.07958 169.4
[M-H]- 280.10914 169.1
[M+Na-2H]- 302.09109 172.0
[M]+ 281.11587 167.1
[M]- 281.11697 167.1
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.