CID 366713

Nsc635429

Structural Information

Molecular Formula
C17H13ClN2O2S
SMILES
CC1=C(C=CC(=C1)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)Cl
InChI
InChI=1S/C17H13ClN2O2S/c1-10-8-11(6-7-12(10)18)19-17(22)14(21)9-16-20-13-4-2-3-5-15(13)23-16/h2-8H,9H2,1H3,(H,19,22)
InChIKey
DQNZKGBDDDYSKS-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-N-(4-chloro-3-methylphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.03864 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04592 177.3
[M+Na]+ 367.02786 187.7
[M-H]- 343.03136 184.7
[M+NH4]+ 362.07246 193.6
[M+K]+ 383.00180 181.1
[M+H-H2O]+ 327.03590 170.6
[M+HCOO]- 389.03684 191.6
[M+CH3COO]- 403.05249 189.0
[M+Na-2H]- 365.01331 178.4
[M]+ 344.03809 184.3
[M]- 344.03919 184.3
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.