CID 46392

64037-19-0

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC(C)C(=O)NC1=NC2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-6(2)10(15)14-11-13-8-5-7(12)3-4-9(8)16-11/h3-6H,1-2H3,(H,13,14,15)
InChIKey
YFQMJRKDDFCXOC-UHFFFAOYSA-N
Compound name
N-(5-chloro-1,3-benzoxazol-2-yl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.0509 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 150.5
[M+Na]+ 261.04012 161.0
[M-H]- 237.04362 155.2
[M+NH4]+ 256.08472 169.4
[M+K]+ 277.01406 158.1
[M+H-H2O]+ 221.04816 144.7
[M+HCOO]- 283.04910 169.3
[M+CH3COO]- 297.06475 192.3
[M+Na-2H]- 259.02557 156.0
[M]+ 238.05035 156.2
[M]- 238.05145 156.2
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

patents stripe