CID 509849

Schembl7484501

Structural Information

Molecular Formula
C16H18Cl2N4OS
SMILES
C1CCC(CC1)CNC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H18Cl2N4OS/c17-12-7-6-11(8-13(12)18)14(23)20-16-22-21-15(24-16)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,21)(H,20,22,23)
InChIKey
WNPUHZVQVBWXJO-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

384.05783 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06511 185.5
[M+Na]+ 407.04705 191.7
[M-H]- 383.05055 191.5
[M+NH4]+ 402.09165 197.4
[M+K]+ 423.02099 184.5
[M+H-H2O]+ 367.05509 177.2
[M+HCOO]- 429.05603 191.2
[M+CH3COO]- 443.07168 193.9
[M+Na-2H]- 405.03250 183.6
[M]+ 384.05728 185.9
[M]- 384.05838 185.9
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