CID 55845

Brn 0661049

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CCOCCC1=C(ON=C1C)NC(=O)CN(C)C
InChI
InChI=1S/C12H21N3O3/c1-5-17-7-6-10-9(2)14-18-12(10)13-11(16)8-15(3)4/h5-8H2,1-4H3,(H,13,16)
InChIKey
DZFYOMSKCJMHAH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-[4-(2-ethoxyethyl)-3-methyl-1,2-oxazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1583 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.165576 161.6
[M+Na]+ 278.147518 167.7
[M-H]- 254.151024 165.9
[M+NH4]+ 273.192123 178.1
[M+K]+ 294.121458 168.8
[M+H-H2O]+ 238.155560 153.8
[M+HCOO]- 300.156501 186.0
[M+CH3COO]- 314.172151 204.1
[M+Na-2H]- 276.132966 164.1
[M]+ 255.15775142 167.7
[M]- 255.15884858 167.7
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.