CID 366514

Nsc635123

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C17H13ClN2O3/c1-10-8-11(18)6-7-12(10)20-17(22)14(21)9-16-19-13-4-2-3-5-15(13)23-16/h2-8H,9H2,1H3,(H,20,22)
InChIKey
FITCDFQNYHLDFA-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.06146 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 174.4
[M+Na]+ 351.05068 184.5
[M-H]- 327.05418 182.3
[M+NH4]+ 346.09528 189.2
[M+K]+ 367.02462 180.0
[M+H-H2O]+ 311.05872 166.9
[M+HCOO]- 373.05966 192.9
[M+CH3COO]- 387.07531 208.8
[M+Na-2H]- 349.03613 178.3
[M]+ 328.06091 181.0
[M]- 328.06201 181.0
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.