CID 3076182

Brn 5822359

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=NOC3C2CCCC3
InChI
InChI=1S/C16H20N2O2/c1-10-6-5-7-11(2)14(10)17-16(19)15-12-8-3-4-9-13(12)20-18-15/h5-7,12-13H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKey
NOXRVHKRVQGPSB-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.0
[M+Na]+ 295.14169 170.0
[M-H]- 271.14519 170.5
[M+NH4]+ 290.18629 180.2
[M+K]+ 311.11563 167.4
[M+H-H2O]+ 255.14973 156.2
[M+HCOO]- 317.15067 182.4
[M+CH3COO]- 331.16632 201.1
[M+Na-2H]- 293.12714 166.3
[M]+ 272.15192 162.1
[M]- 272.15302 162.1
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.