CID 509351

Schembl7482799

Structural Information

Molecular Formula
C19H16Cl2N4OS
SMILES
C1CC(C2=CC=CC=C2C1)NC3=NN=C(S3)NC(=O)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C19H16Cl2N4OS/c20-13-8-4-9-14(21)16(13)17(26)23-19-25-24-18(27-19)22-15-10-3-6-11-5-1-2-7-12(11)15/h1-2,4-5,7-9,15H,3,6,10H2,(H,22,24)(H,23,25,26)
InChIKey
FDHUPCVBSSDNKU-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

418.04218 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.04946 192.1
[M+Na]+ 441.03140 200.4
[M-H]- 417.03490 199.4
[M+NH4]+ 436.07600 203.8
[M+K]+ 457.00534 192.4
[M+H-H2O]+ 401.03944 183.9
[M+HCOO]- 463.04038 198.2
[M+CH3COO]- 477.05603 200.8
[M+Na-2H]- 439.01685 192.5
[M]+ 418.04163 194.7
[M]- 418.04273 194.7
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