CID 509341

Schembl7487886

Structural Information

Molecular Formula
C24H20Cl2N4OS
SMILES
C1=CC=C(C=C1)C(CCNC2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H20Cl2N4OS/c25-19-12-7-13-20(26)21(19)22(31)28-24-30-29-23(32-24)27-15-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H,27,29)(H,28,30,31)
InChIKey
BBVGOQLTCRRBKX-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

482.0735 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.08078 209.2
[M+Na]+ 505.06272 215.9
[M-H]- 481.06622 218.6
[M+NH4]+ 500.10732 216.7
[M+K]+ 521.03666 207.0
[M+H-H2O]+ 465.07076 199.1
[M+HCOO]- 527.07170 216.9
[M+CH3COO]- 541.08735 216.7
[M+Na-2H]- 503.04817 208.2
[M]+ 482.07295 213.9
[M]- 482.07405 213.9
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