CID 510265

Schembl7481329

Structural Information

Molecular Formula
C17H14Cl2N4O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N4O2S/c1-25-14-5-3-2-4-11(14)15(24)21-17-23-22-16(26-17)20-9-10-6-7-12(18)13(19)8-10/h2-8H,9H2,1H3,(H,20,22)(H,21,23,24)
InChIKey
HTALWWJBAXVCIZ-UHFFFAOYSA-N
Compound name
N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

408.02145 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.02873 189.7
[M+Na]+ 431.01067 199.1
[M-H]- 407.01417 197.2
[M+NH4]+ 426.05527 201.0
[M+K]+ 446.98461 191.7
[M+H-H2O]+ 391.01871 181.4
[M+HCOO]- 453.01965 199.5
[M+CH3COO]- 467.03530 199.4
[M+Na-2H]- 428.99612 189.7
[M]+ 408.02090 196.3
[M]- 408.02200 196.3
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

patents stripe