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]+ 323.13902 176.5
[M+Na]+ 345.12096 184.9
[M-H]- 321.12446 184.2
[M+NH4]+ 340.16556 190.5
[M+K]+ 361.09490 181.6
[M+H-H2O]+ 305.12900 168.0
[M+HCOO]- 367.12994 198.8
[M+CH3COO]- 381.14559 211.1
[M+Na-2H]- 343.10641 179.8
[M]+ 322.13119 181.4
[M]- 322.13229 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.