CID 24264321

6-amino-3-[(3-methylphenyl)methyl]-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)N)OC2=O
InChI
InChI=1S/C15H14N2O2/c1-10-3-2-4-11(7-10)9-17-13-6-5-12(16)8-14(13)19-15(17)18/h2-8H,9,16H2,1H3
InChIKey
FQVDGJGZWJNQGJ-UHFFFAOYSA-N
Compound name
6-amino-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 155.6
[M+Na]+ 277.09475 171.5
[M+NH4]+ 272.13935 164.2
[M+K]+ 293.06869 166.0
[M-H]- 253.09825 161.7
[M+Na-2H]- 275.08020 163.7
[M]+ 254.10498 159.7
[M]- 254.10608 159.7
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.