CID 360701

Nsc623037

Structural Information

Molecular Formula
C16H10Cl2N2O2S
SMILES
C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2O2S/c17-9-5-6-11(10(18)7-9)20-16(22)13(21)8-15-19-12-3-1-2-4-14(12)23-15/h1-7H,8H2,(H,20,22)
InChIKey
ZIKDMKNLTQACCA-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.984 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99128 178.3
[M+Na]+ 386.97322 189.4
[M-H]- 362.97672 185.2
[M+NH4]+ 382.01782 194.2
[M+K]+ 402.94716 182.1
[M+H-H2O]+ 346.98126 172.5
[M+HCOO]- 408.98220 187.9
[M+CH3COO]- 422.99785 189.7
[M+Na-2H]- 384.95867 179.3
[M]+ 363.98345 186.2
[M]- 363.98455 186.2
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.