CID 364322

Nsc630338

Structural Information

Molecular Formula
C18H14Cl2N2O3
SMILES
C1=CC=C2C(=C1)N=C(O2)CC(=O)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl2N2O3/c19-13-7-5-11(9-14(13)20)21-17(24)8-6-12(23)10-18-22-15-3-1-2-4-16(15)25-18/h1-5,7,9H,6,8,10H2,(H,21,24)
InChIKey
SFMCUIJTFWRWCQ-UHFFFAOYSA-N
Compound name
5-(1,3-benzoxazol-2-yl)-N-(3,4-dichlorophenyl)-4-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.03815 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.04543 185.4
[M+Na]+ 399.02737 195.3
[M-H]- 375.03087 192.2
[M+NH4]+ 394.07197 198.6
[M+K]+ 415.00131 189.5
[M+H-H2O]+ 359.03541 178.1
[M+HCOO]- 421.03635 198.3
[M+CH3COO]- 435.05200 215.7
[M+Na-2H]- 397.01282 187.9
[M]+ 376.03760 193.6
[M]- 376.03870 193.6
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.