CID 509390

Schembl7487693

Structural Information

Molecular Formula
C18H14Cl2N4OS
SMILES
C1CC2=CC=CC=C2C1NC3=NN=C(S3)NC(=O)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C18H14Cl2N4OS/c19-12-6-3-7-13(20)15(12)16(25)22-18-24-23-17(26-18)21-14-9-8-10-4-1-2-5-11(10)14/h1-7,14H,8-9H2,(H,21,23)(H,22,24,25)
InChIKey
ORBSMHXEALSNLG-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(2,3-dihydro-1H-inden-1-ylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

404.02655 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.03383 191.7
[M+Na]+ 427.01577 201.5
[M-H]- 403.01927 200.2
[M+NH4]+ 422.06037 206.1
[M+K]+ 442.98971 193.9
[M+H-H2O]+ 387.02381 184.4
[M+HCOO]- 449.02475 200.4
[M+CH3COO]- 463.04040 201.6
[M+Na-2H]- 425.00122 190.3
[M]+ 404.02600 196.3
[M]- 404.02710 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