CID 3009053

2(3h)-benzoxazolone, 6-(3-chlorobenzoyl)-3-[(4,5-dihydro-2-thiazolyl)methyl]-

Structural Information

Molecular Formula
C18H13ClN2O3S
SMILES
C1CSC(=N1)CN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)Cl)OC2=O
InChI
InChI=1S/C18H13ClN2O3S/c19-13-3-1-2-11(8-13)17(22)12-4-5-14-15(9-12)24-18(23)21(14)10-16-20-6-7-25-16/h1-5,8-9H,6-7,10H2
InChIKey
FAQPFZGNTJLBQG-UHFFFAOYSA-N
Compound name
6-(3-chlorobenzoyl)-3-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.03354 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.040816 184.8
[M+Na]+ 395.022758 197.4
[M-H]- 371.026264 195.6
[M+NH4]+ 390.067363 199.5
[M+K]+ 410.996698 192.1
[M+H-H2O]+ 355.030800 178.2
[M+HCOO]- 417.031741 197.8
[M+CH3COO]- 431.047391 197.0
[M+Na-2H]- 393.008206 183.6
[M]+ 372.03299142 193.4
[M]- 372.03408858 193.4
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.