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]+ 312.228176 181.4
[M+Na]+ 334.210118 185.3
[M-H]- 310.213624 185.3
[M+NH4]+ 329.254723 195.5
[M+K]+ 350.184058 186.4
[M+H-H2O]+ 294.218160 173.2
[M+HCOO]- 356.219101 202.5
[M+CH3COO]- 370.234751 217.9
[M+Na-2H]- 332.195566 179.4
[M]+ 311.22035142 187.7
[M]- 311.22144858 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.