CID 366717

Nsc635433

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1=CC(=C(C=C1)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2)C
InChI
InChI=1S/C18H16N2O3/c1-11-7-8-13(12(2)9-11)20-18(22)15(21)10-17-19-14-5-3-4-6-16(14)23-17/h3-9H,10H2,1-2H3,(H,20,22)
InChIKey
KNKWXSZWEOAKKP-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-N-(2,4-dimethylphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.7
[M+Na]+ 331.10532 180.6
[M-H]- 307.10882 179.6
[M+NH4]+ 326.14992 186.4
[M+K]+ 347.07926 177.5
[M+H-H2O]+ 291.11336 163.5
[M+HCOO]- 353.11430 194.5
[M+CH3COO]- 367.12995 208.1
[M+Na-2H]- 329.09077 175.6
[M]+ 308.11555 176.3
[M]- 308.11665 176.3
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.