CID 2814505

Maybridge3_002767

Structural Information

Molecular Formula
C13H10ClN3O2S
SMILES
CC1=C(C(=NO1)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C13H10ClN3O2S/c1-6-11(7(2)19-17-6)12(18)16-13-15-9-4-3-8(14)5-10(9)20-13/h3-5H,1-2H3,(H,15,16,18)
InChIKey
FEKIERSZUXSGNB-UHFFFAOYSA-N
Compound name
N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8
Patents

307.01822 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.025496 168.0
[M+Na]+ 330.007438 181.4
[M-H]- 306.010944 176.1
[M+NH4]+ 325.052043 185.7
[M+K]+ 345.981378 177.1
[M+H-H2O]+ 290.015480 162.4
[M+HCOO]- 352.016421 183.2
[M+CH3COO]- 366.032071 181.5
[M+Na-2H]- 327.992886 168.8
[M]+ 307.01767142 177.2
[M]- 307.01876858 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe