CID 509857

Schembl7482877

Structural Information

Molecular Formula
C14H16Cl2N4OS
SMILES
CC(C)(C)CNC1=NN=C(S1)NC(=O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H16Cl2N4OS/c1-14(2,3)7-17-12-19-20-13(22-12)18-11(21)10-8(15)5-4-6-9(10)16/h4-6H,7H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKey
VIEYMNCCGSOASK-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(2,2-dimethylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

358.04218 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04946 182.1
[M+Na]+ 381.03140 191.0
[M-H]- 357.03490 186.5
[M+NH4]+ 376.07600 195.8
[M+K]+ 397.00534 184.4
[M+H-H2O]+ 341.03944 175.2
[M+HCOO]- 403.04038 189.5
[M+CH3COO]- 417.05603 213.1
[M+Na-2H]- 379.01685 182.1
[M]+ 358.04163 187.2
[M]- 358.04273 187.2
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.