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 161.8
[M+Na]+ 304.10564 167.3
[M-H]- 280.10914 167.5
[M+NH4]+ 299.15024 176.2
[M+K]+ 320.07958 162.9
[M+H-H2O]+ 264.11368 152.6
[M+HCOO]- 326.11462 183.0
[M+CH3COO]- 340.13027 203.5
[M+Na-2H]- 302.09109 168.7
[M]+ 281.11587 158.1
[M]- 281.11697 158.1
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.