CID 55839

Brn 0684529

Structural Information

Molecular Formula
C16H29N3O3
SMILES
CCN(CC)C(C(C)C)C(=O)NC1=C(C(=NO1)C)CCOC
InChI
InChI=1S/C16H29N3O3/c1-7-19(8-2)14(11(3)4)15(20)17-16-13(9-10-21-6)12(5)18-22-16/h11,14H,7-10H2,1-6H3,(H,17,20)
InChIKey
KBYIEYSHTFEVEC-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[4-(2-methoxyethyl)-3-methyl-1,2-oxazol-5-yl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2209 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.22818 181.4
[M+Na]+ 334.21012 185.3
[M-H]- 310.21362 185.3
[M+NH4]+ 329.25472 195.5
[M+K]+ 350.18406 186.4
[M+H-H2O]+ 294.21816 173.2
[M+HCOO]- 356.21910 202.5
[M+CH3COO]- 370.23475 217.9
[M+Na-2H]- 332.19557 179.4
[M]+ 311.22035 187.7
[M]- 311.22145 187.7
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.