CID 509834

Schembl7487179

Structural Information

Molecular Formula
C16H18Cl2N4OS
SMILES
C1CCCC(CC1)NC2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H18Cl2N4OS/c17-11-8-5-9-12(18)13(11)14(23)20-16-22-21-15(24-16)19-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H,19,21)(H,20,22,23)
InChIKey
SINKQAWDPSAUNQ-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(cycloheptylamino)-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 187.9
[M+Na]+ 407.04705 193.8
[M-H]- 383.05055 194.6
[M+NH4]+ 402.09165 199.1
[M+K]+ 423.02099 192.0
[M+H-H2O]+ 367.05509 177.6
[M+HCOO]- 429.05603 193.8
[M+CH3COO]- 443.07168 195.8
[M+Na-2H]- 405.03250 185.4
[M]+ 384.05728 184.8
[M]- 384.05838 184.8
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