CID 360723

Nsc623059

Structural Information

Molecular Formula
C18H13ClN2O4S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H13ClN2O4S/c1-25-12-6-7-13-16(8-12)26-18(20-13)21-17(24)15(23)9-14(22)10-2-4-11(19)5-3-10/h2-8H,9H2,1H3,(H,20,21,24)
InChIKey
SGEKNGLDNPJGND-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.02844 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.03572 186.5
[M+Na]+ 411.01766 195.6
[M-H]- 387.02116 193.8
[M+NH4]+ 406.06226 200.4
[M+K]+ 426.99160 190.3
[M+H-H2O]+ 371.02570 179.6
[M+HCOO]- 433.02664 200.0
[M+CH3COO]- 447.04229 217.3
[M+Na-2H]- 409.00311 186.7
[M]+ 388.02789 195.4
[M]- 388.02899 195.4
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.