CID 56695

Brn 0702221

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CCCCOCCC1=C(ON=C1C)NC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H23N3O3/c1-3-4-10-22-11-9-15-12(2)20-23-17(15)19-16(21)13-5-7-14(18)8-6-13/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,21)
InChIKey
NIFYBABYILSVEV-UHFFFAOYSA-N
Compound name
4-amino-N-[4-(2-butoxyethyl)-3-methyl-1,2-oxazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.17395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 177.9
[M+Na]+ 340.16317 187.8
[M+NH4]+ 335.20777 183.4
[M+K]+ 356.13711 184.2
[M-H]- 316.16667 181.9
[M+Na-2H]- 338.14862 182.2
[M]+ 317.17340 180.1
[M]- 317.17450 180.1
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.