CID 1973551

N~1~-(4-chlorobenzyl)-n~2~-(1,3-thiazol-2-yl)ethanediamide

Structural Information

Molecular Formula
C12H10ClN3O2S
SMILES
C1=CC(=CC=C1CNC(=O)C(=O)NC2=NC=CS2)Cl
InChI
InChI=1S/C12H10ClN3O2S/c13-9-3-1-8(2-4-9)7-15-10(17)11(18)16-12-14-5-6-19-12/h1-6H,7H2,(H,15,17)(H,14,16,18)
InChIKey
IJCMDWCFCCOFRC-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

295.01822 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.025496 164.3
[M+Na]+ 318.007438 171.9
[M-H]- 294.010944 170.3
[M+NH4]+ 313.052043 180.7
[M+K]+ 333.981378 166.8
[M+H-H2O]+ 278.015480 157.3
[M+HCOO]- 340.016421 180.0
[M+CH3COO]- 354.032071 199.1
[M+Na-2H]- 315.992886 165.7
[M]+ 295.01767142 167.3
[M]- 295.01876858 167.3
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.