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 158.5
[M+Na]+ 292.10564 168.2
[M-H]- 268.10914 161.9
[M+NH4]+ 287.15024 173.6
[M+K]+ 308.07958 161.7
[M+H-H2O]+ 252.11368 150.3
[M+HCOO]- 314.11462 180.6
[M+CH3COO]- 328.13027 170.2
[M+Na-2H]- 290.09109 165.1
[M]+ 269.11587 159.0
[M]- 269.11697 159.0
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.