CID 42118

Isamoxole

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CCCCN(C1=NC(=CO1)C)C(=O)C(C)C
InChI
InChI=1S/C12H20N2O2/c1-5-6-7-14(11(15)9(2)3)12-13-10(4)8-16-12/h8-9H,5-7H2,1-4H3
InChIKey
VMBNXRJYPJRJIU-UHFFFAOYSA-N
Compound name
N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

286
Patents

224.15248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 155.1
[M+Na]+ 247.14170 161.2
[M-H]- 223.14520 159.3
[M+NH4]+ 242.18630 173.0
[M+K]+ 263.11564 162.2
[M+H-H2O]+ 207.14974 148.0
[M+HCOO]- 269.15068 177.4
[M+CH3COO]- 283.16633 196.7
[M+Na-2H]- 245.12715 156.7
[M]+ 224.15193 159.6
[M]- 224.15303 159.6
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.