CID 366706

Nsc635423

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C20H20N2O3/c1-3-13-8-7-9-14(4-2)19(13)22-20(24)16(23)12-18-21-15-10-5-6-11-17(15)25-18/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKey
JWONMAMNWJAPOL-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-N-(2,6-diethylphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 181.2
[M+Na]+ 359.13662 189.1
[M-H]- 335.14012 188.7
[M+NH4]+ 354.18122 194.6
[M+K]+ 375.11056 185.6
[M+H-H2O]+ 319.14466 172.5
[M+HCOO]- 381.14560 203.2
[M+CH3COO]- 395.16125 214.0
[M+Na-2H]- 357.12207 184.0
[M]+ 336.14685 186.4
[M]- 336.14795 186.4
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.