CID 17058886

5-{[(3-methoxyphenyl)methyl]amino}-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C15H15N3O2
SMILES
COC1=CC=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3
InChI
InChI=1S/C15H15N3O2/c1-20-12-4-2-3-10(7-12)9-16-11-5-6-13-14(8-11)18-15(19)17-13/h2-8,16H,9H2,1H3,(H2,17,18,19)
InChIKey
JESQKCGKIHBFNH-UHFFFAOYSA-N
Compound name
5-[(3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 160.5
[M+Na]+ 292.10564 174.5
[M+NH4]+ 287.15024 167.7
[M+K]+ 308.07958 169.2
[M-H]- 268.10914 163.5
[M+Na-2H]- 290.09109 168.2
[M]+ 269.11587 163.2
[M]- 269.11697 163.2
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.