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]+ 373.04082 184.8
[M+Na]+ 395.02276 197.4
[M-H]- 371.02626 195.6
[M+NH4]+ 390.06736 199.5
[M+K]+ 410.99670 192.1
[M+H-H2O]+ 355.03080 178.2
[M+HCOO]- 417.03174 197.8
[M+CH3COO]- 431.04739 197.0
[M+Na-2H]- 393.00821 183.6
[M]+ 372.03299 193.4
[M]- 372.03409 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.