CID 366712

Nsc635428

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CCC1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3O2)C
InChI
InChI=1S/C19H18N2O3/c1-3-13-8-6-7-12(2)18(13)21-19(23)15(22)11-17-20-14-9-4-5-10-16(14)24-17/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKey
SOPKGDXOQICGIZ-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 176.5
[M+Na]+ 345.120958 184.9
[M-H]- 321.124464 184.2
[M+NH4]+ 340.165563 190.5
[M+K]+ 361.094898 181.6
[M+H-H2O]+ 305.129000 168.0
[M+HCOO]- 367.129941 198.8
[M+CH3COO]- 381.145591 211.1
[M+Na-2H]- 343.106406 179.8
[M]+ 322.13119142 181.4
[M]- 322.13228858 181.4
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.