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]+ 270.123696 158.5
[M+Na]+ 292.105638 168.2
[M-H]- 268.109144 161.9
[M+NH4]+ 287.150243 173.6
[M+K]+ 308.079578 161.7
[M+H-H2O]+ 252.113680 150.3
[M+HCOO]- 314.114621 180.6
[M+CH3COO]- 328.130271 170.2
[M+Na-2H]- 290.091086 165.1
[M]+ 269.11587142 159.0
[M]- 269.11696858 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.