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
2
Annotation Hits

6
References

290
Patents

224.15248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 155.1
[M+Na]+ 247.141698 161.2
[M-H]- 223.145204 159.3
[M+NH4]+ 242.186303 173.0
[M+K]+ 263.115638 162.2
[M+H-H2O]+ 207.149740 148.0
[M+HCOO]- 269.150681 177.4
[M+CH3COO]- 283.166331 196.7
[M+Na-2H]- 245.127146 156.7
[M]+ 224.15193142 159.6
[M]- 224.15302858 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

literature stripe

Patent stripe

patents stripe